#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1re5 n GLN 4 N 0.00 0.42 0.05 3.52 10.64 -1.26 -4.78 117.38 125.97 1re5 n GLN 4 Ca 0.00 -0.61 -0.11 0.00 -1.83 0.00 0.00 57.00 54.44 1re5 n GLN 4 Cb 0.00 -0.77 -0.05 0.00 -0.86 0.00 0.00 30.24 28.56 1re5 n GLN 4 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.06 175.16 1re5 h LEU 5 N 0.00 -0.89 -1.00 2.61 3.38 -2.08 -2.37 115.31 114.96 1re5 h LEU 5 Ca 0.00 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1re5 h LEU 5 Cb 0.45 0.37 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1re5 h LEU 5 CO 0.00 -0.36 0.00 0.49 0.09 0.00 0.00 178.44 178.66 1re5 n PHE 6 N -5.40 0.11 0.06 1.13 3.01 -1.26 -4.29 117.46 110.82 1re5 n PHE 6 Ca -0.05 -0.06 -0.02 0.00 1.01 0.00 0.00 57.45 58.34 1re5 n PHE 6 Cb 0.31 0.00 0.25 0.00 -0.01 0.00 0.00 39.48 40.03 1re5 n PHE 6 CO 0.00 0.00 0.00 0.22 1.01 0.00 0.00 176.76 177.99 1re5 h ASP 7 N 2.18 0.35 0.23 4.37 3.58 -1.73 -1.06 116.42 124.36 1re5 h ASP 7 Ca 0.00 -0.12 -0.14 0.00 0.42 0.00 0.00 57.03 57.19 1re5 h ASP 7 Cb 0.47 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.41 1re5 h ASP 7 CO 0.00 0.63 -0.54 0.00 -2.88 0.00 0.00 179.24 176.45 1re5 h ALA 8 N 1.40 0.87 0.05 -0.78 0.00 -1.75 -0.60 119.26 118.45 1re5 h ALA 8 Ca 0.05 -0.50 -0.23 0.00 0.00 0.00 0.00 54.91 54.23 1re5 h ALA 8 Cb 0.65 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1re5 h ALA 8 CO 0.05 0.69 -1.04 -0.92 0.00 0.00 0.00 179.25 178.02 1re5 h TYR 9 N 0.26 0.26 0.00 0.00 3.20 -1.78 -3.38 116.97 115.54 1re5 h TYR 9 Ca 0.01 -0.18 -0.01 0.00 3.14 0.00 0.00 58.73 61.69 1re5 h TYR 9 Cb 1.03 -0.02 -0.00 0.00 1.54 0.00 0.00 36.73 39.28 1re5 h TYR 9 CO 0.03 1.08 -1.90 1.19 -1.64 0.00 0.00 178.16 176.92 1re5 n PHE 10 N -3.52 0.00 -4.38 -3.82 0.99 -0.42 -4.97 117.46 101.34 1re5 n PHE 10 Ca -0.04 0.00 -0.27 0.00 -0.00 0.00 0.00 57.45 57.14 1re5 n PHE 10 Cb 0.92 -0.46 -0.13 0.00 -1.00 0.00 0.00 39.48 38.81 1re5 n PHE 10 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.76 177.75 1re5 s THR 11 N -3.33 1.97 -0.21 4.37 2.01 -0.23 -3.63 115.64 116.59 1re5 s THR 11 Ca -0.07 -1.62 -0.22 0.00 0.31 0.00 0.00 61.69 60.09 1re5 s THR 11 Cb 0.12 -1.76 -0.02 0.00 0.01 0.00 0.00 72.50 70.85 1re5 s THR 11 CO 0.81 0.04 0.71 0.00 -0.69 0.00 0.00 174.62 175.49 1re5 s ALA 12 N -1.08 3.58 0.31 7.40 0.00 -1.26 -4.61 121.76 126.10 1re5 s ALA 12 Ca 0.10 -0.22 0.06 0.00 0.00 0.00 0.00 51.96 51.91 1re5 s ALA 12 Cb -0.10 -3.10 0.88 0.00 0.00 0.00 0.00 23.12 20.79 1re5 s ALA 12 CO 0.05 -0.71 1.51 -0.35 0.00 0.00 0.00 175.76 176.26 1re5 n PRO 13 N 5.43 -0.07 -0.21 0.00 -0.04 -1.26 0.19 135.00 139.04 1re5 n PRO 13 Ca 0.01 1.42 -0.04 0.00 -0.04 0.00 0.00 63.50 64.85 1re5 n PRO 13 Cb 0.49 -2.32 0.14 0.00 -0.04 0.00 0.00 33.50 31.77 1re5 n PRO 13 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1re5 h ALA 14 N 1.93 1.17 -0.39 0.55 0.00 -2.00 -2.07 119.26 118.44 1re5 h ALA 14 Ca 0.64 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 55.25 1re5 h ALA 14 Cb 1.44 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1re5 h ALA 14 CO -0.87 0.59 -0.21 1.98 0.00 0.00 0.00 179.25 180.75 1re5 h MET 15 N 0.98 0.83 -0.51 0.00 -1.53 -0.66 -2.86 114.93 111.18 1re5 h MET 15 Ca 0.22 -0.37 -0.01 0.00 -3.44 0.00 0.00 59.70 56.10 1re5 h MET 15 Cb 0.22 -0.02 -0.03 0.00 -0.55 0.00 0.00 31.60 31.23 1re5 h MET 15 CO -0.02 1.00 0.27 -0.09 0.14 0.00 0.00 176.91 178.21 1re5 h ARG 16 N 0.63 0.71 -0.70 0.39 9.65 -1.10 -1.67 114.38 122.29 1re5 h ARG 16 Ca 0.08 -0.07 -0.00 0.00 -1.10 0.00 0.00 59.98 58.89 1re5 h ARG 16 Cb 0.76 -0.14 -0.03 0.00 -1.39 0.00 0.00 29.97 29.17 1re5 h ARG 16 CO 0.06 0.54 0.43 1.49 2.80 0.00 0.00 179.97 185.29 1re5 h GLU 17 N 0.72 0.95 -0.32 0.20 4.57 -1.15 -2.36 114.58 117.18 1re5 h GLU 17 Ca 0.18 -0.08 -0.03 0.00 -1.18 0.00 0.00 59.36 58.25 1re5 h GLU 17 Cb 0.04 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 28.42 1re5 h GLU 17 CO -0.03 0.66 0.08 0.82 -1.18 0.00 0.00 179.01 179.37 1re5 h ILE 18 N 0.96 1.22 -2.71 2.32 2.04 -1.25 -3.28 117.51 116.80 1re5 h ILE 18 Ca 0.25 -0.72 -0.81 0.00 1.00 0.00 0.00 64.86 64.59 1re5 h ILE 18 Cb -0.05 1.07 -0.27 0.00 -0.74 0.00 0.00 36.82 36.83 1re5 h ILE 18 CO -0.05 0.24 0.92 0.49 0.00 0.00 0.00 178.15 179.75 1re5 n PHE 19 N -4.65 2.33 -4.38 1.37 3.72 -0.69 -4.23 117.46 110.92 1re5 n PHE 19 Ca -0.02 -2.58 -0.19 0.00 -0.05 0.00 0.00 57.45 54.61 1re5 n PHE 19 Cb 0.18 -1.30 -0.10 0.00 -0.94 0.00 0.00 39.48 37.32 1re5 n PHE 19 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1re5 s SER 20 N -1.56 1.79 0.23 4.37 1.04 -1.12 -4.83 113.70 113.62 1re5 s SER 20 Ca 0.33 -1.39 -0.08 0.00 0.48 0.00 0.00 55.95 55.29 1re5 s SER 20 Cb 0.07 0.06 0.26 0.00 0.10 0.00 0.00 66.02 66.50 1re5 s SER 20 CO 0.07 -0.68 1.86 0.44 0.98 0.00 0.00 173.24 175.91 1re5 h ASP 21 N 2.24 0.81 -0.23 7.02 3.32 -1.91 -1.00 116.42 126.67 1re5 h ASP 21 Ca -0.39 0.00 0.04 0.00 0.02 0.00 0.00 57.03 56.70 1re5 h ASP 21 Cb 1.25 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 40.59 1re5 h ASP 21 CO 0.65 0.54 0.01 -0.09 -1.72 0.00 0.00 179.24 178.63 1re5 h ARG 22 N 0.95 0.09 -0.79 3.56 2.43 -1.93 -0.29 114.38 118.40 1re5 h ARG 22 Ca 0.33 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.44 1re5 h ARG 22 Cb 0.07 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.56 1re5 h ARG 22 CO -0.13 0.06 0.30 0.78 -1.51 0.00 0.00 179.97 179.47 1re5 h GLY 23 N 0.09 1.28 0.78 2.80 0.00 -1.62 0.10 103.07 106.51 1re5 h GLY 23 Ca 0.11 -0.71 -0.00 0.00 0.00 0.00 0.00 47.33 46.73 1re5 h GLY 23 CO -0.17 0.67 0.00 -0.09 0.00 0.00 0.00 176.54 176.95 1re5 h ARG 24 N 1.16 0.02 -0.23 4.80 2.43 -0.80 -1.79 114.38 119.98 1re5 h ARG 24 Ca 0.26 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.43 1re5 h ARG 24 Cb 0.23 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 1re5 h ARG 24 CO -0.02 0.24 0.15 -0.07 -1.51 0.00 0.00 179.97 178.76 1re5 h LEU 25 N -0.21 0.26 -1.43 3.80 4.07 -0.97 -2.74 115.31 118.10 1re5 h LEU 25 Ca 0.00 -0.01 0.03 0.00 0.08 0.00 0.00 57.88 57.98 1re5 h LEU 25 Cb 0.23 -0.07 -0.03 0.00 1.08 0.00 0.00 40.66 41.87 1re5 h LEU 25 CO 0.00 0.19 0.41 -0.61 -1.08 0.00 0.00 178.44 177.35 1re5 h GLN 26 N 0.31 0.74 -0.41 1.13 5.75 -0.70 -1.54 115.11 120.38 1re5 h GLN 26 Ca 0.08 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.53 1re5 h GLN 26 Cb -0.03 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 28.33 1re5 h GLN 26 CO -0.02 0.49 0.23 0.78 -2.65 0.00 0.00 178.83 177.65 1re5 h GLY 27 N 0.76 0.62 1.04 2.39 0.00 -1.02 0.73 103.07 107.58 1re5 h GLY 27 Ca 0.24 -0.28 -0.11 0.00 0.00 0.00 0.00 47.33 47.18 1re5 h GLY 27 CO -0.06 0.27 -0.18 -0.33 0.00 0.00 0.00 176.54 176.24 1re5 h MET 28 N 0.54 0.87 -0.84 4.80 2.86 -1.29 -2.52 114.93 119.34 1re5 h MET 28 Ca 0.15 -0.37 -0.02 0.00 -2.06 0.00 0.00 59.70 57.40 1re5 h MET 28 Cb 0.06 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 31.65 1re5 h MET 28 CO -0.02 1.01 0.46 -0.07 1.06 0.00 0.00 176.91 179.35 1re5 h LEU 29 N 0.69 1.04 -1.01 1.22 3.38 -1.16 -0.55 115.31 118.93 1re5 h LEU 29 Ca 0.10 -0.10 0.07 0.00 0.09 0.00 0.00 57.88 58.04 1re5 h LEU 29 Cb 0.73 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 41.15 1re5 h LEU 29 CO 0.06 0.84 0.65 0.44 0.09 0.00 0.00 178.44 180.51 1re5 h ASP 30 N 1.16 1.04 -0.16 -0.43 5.19 -0.63 -0.59 116.42 122.00 1re5 h ASP 30 Ca 0.30 0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.70 1re5 h ASP 30 Cb 0.02 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.31 1re5 h ASP 30 CO -0.05 0.66 0.05 0.15 -3.12 0.00 0.00 179.24 176.93 1re5 h PHE 31 N 1.18 0.26 -0.30 4.55 3.57 -0.83 -0.84 116.94 124.52 1re5 h PHE 31 Ca 0.44 -0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.92 1re5 h PHE 31 Cb 0.18 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.83 1re5 h PHE 31 CO -0.00 0.36 0.19 0.93 -2.23 0.00 0.00 178.31 177.56 1re5 h GLU 32 N 0.08 0.38 0.02 1.11 4.39 -0.35 0.25 114.58 120.45 1re5 h GLU 32 Ca 0.05 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.73 1re5 h GLU 32 Cb 0.22 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 1re5 h GLU 32 CO -0.00 0.25 -0.01 0.00 -1.16 0.00 0.00 179.01 178.09 1re5 h ALA 33 N 1.12 -0.02 -0.72 3.43 0.00 -1.11 -1.96 119.26 119.99 1re5 h ALA 33 Ca 0.11 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.05 1re5 h ALA 33 Cb -0.03 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 1re5 h ALA 33 CO -0.04 -0.47 0.48 0.00 0.00 0.00 0.00 179.25 179.22 1re5 h ALA 34 N 0.87 1.75 0.17 0.00 0.00 -0.92 -1.92 119.26 119.21 1re5 h ALA 34 Ca -0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1re5 h ALA 34 Cb 0.11 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1re5 h ALA 34 CO 0.00 0.13 -0.08 1.25 0.00 0.00 0.00 179.25 180.55 1re5 h LEU 35 N 0.71 -0.20 -0.52 0.00 6.46 0.01 -0.91 115.31 120.87 1re5 h LEU 35 Ca 0.32 -0.04 0.04 0.00 -0.12 0.00 0.00 57.88 58.08 1re5 h LEU 35 Cb 0.33 0.05 -0.04 0.00 -0.73 0.00 0.00 40.66 40.26 1re5 h LEU 35 CO -0.11 -0.09 0.27 0.00 -0.62 0.00 0.00 178.44 177.90 1re5 h ALA 36 N 0.52 0.67 -0.23 1.25 0.00 -0.97 -0.56 119.26 119.93 1re5 h ALA 36 Ca -0.02 0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.94 1re5 h ALA 36 Cb 0.23 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1re5 h ALA 36 CO 0.04 -0.06 0.01 -0.09 0.00 0.00 0.00 179.25 179.15 1re5 h ARG 37 N 0.53 0.09 -0.23 0.00 2.43 -1.21 -0.06 114.38 115.93 1re5 h ARG 37 Ca 0.23 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.29 1re5 h ARG 37 Cb 0.12 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 1re5 h ARG 37 CO -0.15 0.06 -0.29 0.00 -1.51 0.00 0.00 179.97 178.08 1re5 h ALA 38 N 1.19 1.08 0.00 2.80 0.00 -0.64 -2.85 119.26 120.84 1re5 h ALA 38 Ca 0.11 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.58 1re5 h ALA 38 Cb 0.13 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1re5 h ALA 38 CO -0.17 0.57 -0.44 0.93 0.00 0.00 0.00 179.25 180.14 1re5 h GLU 39 N 0.40 0.00 -0.33 0.00 5.08 -0.89 -3.22 114.58 115.62 1re5 h GLU 39 Ca 0.05 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.31 1re5 h GLU 39 Cb 0.71 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 1re5 h GLU 39 CO 0.05 0.35 -0.20 0.00 -1.00 0.00 0.00 179.01 178.21 1re5 h ALA 40 N 1.64 0.47 0.00 3.43 0.00 -0.84 0.10 119.26 124.06 1re5 h ALA 40 Ca -0.01 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1re5 h ALA 40 Cb 1.29 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1re5 h ALA 40 CO 0.05 0.42 0.00 -1.13 0.00 0.00 0.00 179.25 178.58 1re5 n SER 41 N -4.31 0.00 -0.20 0.00 3.41 -1.09 -1.06 113.62 110.37 1re5 n SER 41 Ca -0.03 -0.92 0.03 0.00 -0.26 0.00 0.00 58.87 57.69 1re5 n SER 41 Cb 0.42 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.39 1re5 n SER 41 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1re5 n ALA 42 N -0.79 2.52 -1.91 7.33 0.00 -0.91 -4.99 120.51 121.75 1re5 n ALA 42 Ca 0.09 -0.49 -0.01 0.00 0.00 0.00 0.00 53.44 53.04 1re5 n ALA 42 Cb 0.04 -0.20 -0.00 0.00 0.00 0.00 0.00 19.45 19.29 1re5 n ALA 42 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1re5 n GLY 43 N 0.46 0.35 0.01 0.00 0.00 -0.22 -4.95 105.19 100.83 1re5 n GLY 43 Ca 0.03 -0.88 0.07 0.00 0.00 0.00 0.00 46.02 45.24 1re5 n GLY 43 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1re5 n LEU 44 N -0.10 0.09 -3.91 0.99 7.99 0.31 -4.99 117.00 117.39 1re5 n LEU 44 Ca -0.01 -0.07 -0.17 0.00 -0.01 0.00 0.00 56.01 55.75 1re5 n LEU 44 Cb 0.45 0.00 -0.15 0.00 -0.11 0.00 0.00 43.42 43.61 1re5 n LEU 44 CO 0.01 0.02 -0.40 -0.69 -1.51 0.00 0.00 177.39 174.83 1re5 s VAL 45 N -2.89 0.38 0.09 4.08 1.01 -1.19 -4.93 120.40 116.94 1re5 s VAL 45 Ca -0.04 -0.12 -0.31 0.00 0.00 0.00 0.00 61.98 61.52 1re5 s VAL 45 Cb 0.09 -0.38 -0.08 0.00 0.00 0.00 0.00 36.38 36.02 1re5 s VAL 45 CO 0.59 0.15 1.53 -2.16 0.00 0.00 0.00 175.10 175.21 1re5 s PRO 46 N 0.41 4.24 0.62 2.72 0.04 -1.26 -4.31 135.00 137.47 1re5 s PRO 46 Ca -0.05 2.21 0.27 0.00 0.04 0.00 0.00 61.00 63.47 1re5 s PRO 46 Cb -0.08 -3.41 1.36 0.00 0.04 0.00 0.00 34.50 32.40 1re5 s PRO 46 CO -0.00 -0.61 1.78 0.45 0.04 0.00 0.00 177.00 178.65 1re5 h HIS 47 N 7.55 0.00 0.00 0.56 3.86 -1.97 0.49 115.15 125.64 1re5 h HIS 47 Ca -0.42 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 58.69 1re5 h HIS 47 Cb 1.20 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.65 1re5 h HIS 47 CO 0.72 0.00 -0.49 0.66 0.86 0.00 0.00 177.93 179.67 1re5 h SER 48 N 0.00 0.00 0.55 2.45 4.64 -2.02 -2.91 113.55 116.27 1re5 h SER 48 Ca 0.15 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.23 1re5 h SER 48 Cb 1.22 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1re5 h SER 48 CO -0.00 0.49 -1.04 0.00 -0.87 0.00 0.00 176.83 175.41 1re5 h ALA 49 N 1.51 0.30 -0.85 5.18 0.00 -0.38 -3.16 119.26 121.86 1re5 h ALA 49 Ca -0.00 -0.79 0.09 0.00 0.00 0.00 0.00 54.91 54.21 1re5 h ALA 49 Cb 0.92 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.61 1re5 h ALA 49 CO 0.06 0.92 0.50 0.28 0.00 0.00 0.00 179.25 181.02 1re5 h VAL 50 N 0.13 0.93 -0.45 0.00 2.07 -1.33 -0.11 116.25 117.50 1re5 h VAL 50 Ca -0.09 -0.29 -0.13 0.00 0.82 0.00 0.00 66.70 67.01 1re5 h VAL 50 Cb 1.72 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 1re5 h VAL 50 CO 0.17 0.15 -0.23 0.00 0.02 0.00 0.00 177.57 177.68 1re5 h ALA 51 N 1.45 0.74 -0.07 1.67 0.00 -1.58 -2.22 119.26 119.26 1re5 h ALA 51 Ca 0.40 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1re5 h ALA 51 Cb 0.34 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1re5 h ALA 51 CO -0.24 0.66 0.04 0.00 0.00 0.00 0.00 179.25 179.72 1re5 h ALA 52 N 0.93 0.09 0.48 0.00 0.00 -1.21 -2.58 119.26 116.98 1re5 h ALA 52 Ca 0.10 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1re5 h ALA 52 Cb 0.79 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 1re5 h ALA 52 CO 0.07 -0.38 -0.30 0.82 0.00 0.00 0.00 179.25 179.46 1re5 h ILE 53 N 0.04 0.39 -1.00 0.00 2.04 -1.04 -2.80 117.51 115.14 1re5 h ILE 53 Ca 0.02 0.00 0.22 0.00 1.00 0.00 0.00 64.86 66.11 1re5 h ILE 53 Cb 0.06 0.39 -0.10 0.00 -0.74 0.00 0.00 36.82 36.43 1re5 h ILE 53 CO -0.00 0.00 0.63 -0.33 0.00 0.00 0.00 178.15 178.44 1re5 h GLU 54 N -0.74 0.54 0.00 2.37 5.08 -1.39 0.29 114.58 120.73 1re5 h GLU 54 Ca -0.06 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 1re5 h GLU 54 Cb 0.61 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 1re5 h GLU 54 CO 0.06 0.36 -0.08 0.00 -1.00 0.00 0.00 179.01 178.34 1re5 h ALA 55 N 1.64 1.11 -0.01 3.43 0.00 -1.19 -2.48 119.26 121.76 1re5 h ALA 55 Ca 0.57 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.40 1re5 h ALA 55 Cb 1.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1re5 h ALA 55 CO -0.32 0.10 -0.53 0.00 0.00 0.00 0.00 179.25 178.50 1re5 n ALA 56 N -2.18 3.69 -1.60 0.00 0.00 0.98 -4.58 120.51 116.81 1re5 n ALA 56 Ca -0.01 -0.62 -0.31 0.00 0.00 0.00 0.00 53.44 52.50 1re5 n ALA 56 Cb 0.26 -0.82 -0.05 0.00 0.00 0.00 0.00 19.45 18.84 1re5 n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1re5 s GLN 58 N -0.98 2.01 0.27 0.00 -0.21 -1.26 -4.71 119.66 114.78 1re5 s GLN 58 Ca 0.59 -0.45 -0.00 0.00 0.02 0.00 0.00 55.36 55.51 1re5 s GLN 58 Cb 0.29 -1.87 0.59 0.00 1.00 0.00 0.00 33.01 33.03 1re5 s GLN 58 CO -0.14 -0.20 1.71 0.00 -2.12 0.00 0.00 175.29 174.54 1re5 h ALA 59 N 7.93 1.26 -1.18 6.09 0.00 -1.89 -2.14 119.26 129.33 1re5 h ALA 59 Ca -0.34 0.14 0.33 0.00 0.00 0.00 0.00 54.91 55.04 1re5 h ALA 59 Cb 1.14 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.97 1re5 h ALA 59 CO 0.48 -0.26 0.81 0.93 0.00 0.00 0.00 179.25 181.21 1re5 h GLU 60 N 0.44 0.15 0.00 0.00 3.07 -1.96 -1.16 114.58 115.12 1re5 h GLU 60 Ca 0.49 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.34 1re5 h GLU 60 Cb 0.84 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.71 1re5 h GLU 60 CO -0.47 0.10 0.00 0.54 -1.40 0.00 0.00 179.01 177.78 1re5 n ARG 61 N -4.38 0.81 -4.43 2.33 1.74 -0.80 -4.86 116.66 107.07 1re5 n ARG 61 Ca 0.27 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 57.10 1re5 n ARG 61 Cb 1.16 -1.37 -0.11 0.00 -1.02 0.00 0.00 32.46 31.12 1re5 n ARG 61 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1re5 s TYR 62 N -2.00 2.33 -0.43 -1.55 1.51 -0.44 -5.10 117.35 111.66 1re5 s TYR 62 Ca 0.29 -0.34 -0.12 0.00 -1.01 0.00 0.00 57.07 55.89 1re5 s TYR 62 Cb 0.13 -1.10 0.06 0.00 -0.11 0.00 0.00 41.96 40.95 1re5 s TYR 62 CO 0.22 0.58 0.31 0.34 -1.11 0.00 0.00 175.55 175.89 1re5 s ASP 63 N -2.99 5.90 0.17 2.29 2.15 -1.26 -4.97 116.67 117.95 1re5 s ASP 63 Ca 0.24 -1.29 -0.14 0.00 0.43 0.00 0.00 52.55 51.79 1re5 s ASP 63 Cb -0.07 -2.09 0.12 0.00 -0.30 0.00 0.00 42.92 40.58 1re5 s ASP 63 CO 0.12 -0.54 1.75 0.74 -0.17 0.00 0.00 175.17 177.07 1re5 h THR 64 N 5.87 0.86 -0.54 1.71 2.02 -1.99 -1.05 112.91 119.80 1re5 h THR 64 Ca -0.26 -0.11 0.08 0.00 0.77 0.00 0.00 66.41 66.89 1re5 h THR 64 Cb 1.10 0.52 -0.07 0.00 -1.74 0.00 0.00 68.15 67.96 1re5 h THR 64 CO 0.79 0.06 0.18 1.23 0.37 0.00 0.00 175.52 178.14 1re5 h GLY 65 N 0.32 0.73 0.84 2.16 0.00 -1.99 0.21 103.07 105.33 1re5 h GLY 65 Ca 0.20 -0.09 -0.02 0.00 0.00 0.00 0.00 47.33 47.43 1re5 h GLY 65 CO -0.21 -0.02 0.04 0.00 0.00 0.00 0.00 176.54 176.35 1re5 h ALA 66 N 1.38 0.23 -0.86 3.60 0.00 -1.87 -2.91 119.26 118.83 1re5 h ALA 66 Ca 0.27 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.05 1re5 h ALA 66 Cb 0.32 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 1re5 h ALA 66 CO -0.29 -0.12 0.56 -0.07 0.00 0.00 0.00 179.25 179.32 1re5 h LEU 67 N 0.08 0.93 -0.67 0.00 3.38 -0.69 -2.58 115.31 115.77 1re5 h LEU 67 Ca 0.05 -0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.11 1re5 h LEU 67 Cb 0.28 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 40.74 1re5 h LEU 67 CO 0.00 0.65 0.30 0.00 0.09 0.00 0.00 178.44 179.48 1re5 h ALA 68 N 1.35 0.90 -0.06 1.53 0.00 -0.42 0.84 119.26 123.40 1re5 h ALA 68 Ca 0.34 0.07 -0.11 0.00 0.00 0.00 0.00 54.91 55.20 1re5 h ALA 68 Cb -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1re5 h ALA 68 CO -0.11 -0.12 -0.48 -0.91 0.00 0.00 0.00 179.25 177.64 1re5 h ASN 69 N 0.51 0.15 -0.29 0.00 2.35 -1.29 -2.95 115.58 114.07 1re5 h ASN 69 Ca 0.33 -0.07 -0.15 0.00 -0.55 0.00 0.00 56.30 55.86 1re5 h ASN 69 Cb 0.38 -0.04 -0.00 0.00 0.05 0.00 0.00 38.32 38.71 1re5 h ASN 69 CO -0.29 0.61 -0.40 0.00 -1.65 0.00 0.00 177.43 175.70 1re5 h ALA 70 N 1.40 0.44 -0.88 -0.83 0.00 -0.90 -3.06 119.26 115.42 1re5 h ALA 70 Ca 0.00 -0.45 0.09 0.00 0.00 0.00 0.00 54.91 54.55 1re5 h ALA 70 Cb 0.89 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.53 1re5 h ALA 70 CO 0.07 0.55 0.57 0.82 0.00 0.00 0.00 179.25 181.26 1re5 h ILE 71 N 0.54 1.00 0.00 0.00 2.04 -0.74 0.13 117.51 120.48 1re5 h ILE 71 Ca 0.03 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.58 1re5 h ILE 71 Cb 0.99 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.07 1re5 h ILE 71 CO 0.09 0.17 0.03 0.00 0.00 0.00 0.00 178.15 178.44 1re5 h ALA 72 N 1.55 1.02 0.00 1.87 0.00 -1.41 -0.92 119.26 121.37 1re5 h ALA 72 Ca 0.40 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.20 1re5 h ALA 72 Cb 0.34 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1re5 h ALA 72 CO -0.16 -0.02 -1.53 2.41 0.00 0.00 0.00 179.25 179.94 1re5 n THR 73 N -2.40 0.42 0.12 0.00 -1.04 0.24 -4.68 114.28 106.93 1re5 n THR 73 Ca -0.02 -0.31 -0.20 0.00 -2.04 0.00 0.00 64.05 61.48 1re5 n THR 73 Cb 0.07 -0.49 -0.14 0.00 -1.82 0.00 0.00 70.33 67.96 1re5 n THR 73 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1re5 h ALA 74 N 0.53 0.00 0.00 2.41 0.00 -0.14 -3.48 119.26 118.57 1re5 h ALA 74 Ca -0.17 -0.84 0.00 0.00 0.00 0.00 0.00 54.91 53.91 1re5 h ALA 74 Cb 1.21 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1re5 h ALA 74 CO 0.01 0.80 0.00 0.41 0.00 0.00 0.00 179.25 180.47 1re5 n GLY 75 N 1.52 1.46 3.65 0.00 0.00 -0.43 -5.03 105.19 106.36 1re5 n GLY 75 Ca -0.13 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.78 1re5 n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1re5 s ASN 76 N -1.65 0.44 -0.06 1.61 2.20 -1.26 -5.07 114.94 111.15 1re5 s ASN 76 Ca 0.00 -1.29 0.16 0.00 -0.94 0.00 0.00 52.86 50.79 1re5 s ASN 76 Cb 0.00 0.75 -0.22 0.00 -2.00 0.00 0.00 41.25 39.78 1re5 s ASN 76 CO 0.00 -1.47 0.52 -1.54 -2.94 0.00 0.00 177.10 171.67 1re5 n SER 77 N -1.34 0.56 0.22 3.54 3.41 -1.26 -4.50 113.62 114.24 1re5 n SER 77 Ca -0.03 0.26 -0.15 0.00 -0.26 0.00 0.00 58.87 58.68 1re5 n SER 77 Cb 0.61 0.45 -0.07 0.00 -0.26 0.00 0.00 64.21 64.93 1re5 n SER 77 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1re5 h ALA 78 N 1.19 -0.59 -0.72 7.33 0.00 -1.98 -2.61 119.26 121.88 1re5 h ALA 78 Ca -0.31 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.51 1re5 h ALA 78 Cb 1.89 0.32 -0.04 0.00 0.00 0.00 0.00 17.79 19.96 1re5 h ALA 78 CO 0.05 -0.85 0.47 -0.84 0.00 0.00 0.00 179.25 178.08 1re5 h ILE 79 N -0.59 1.16 -0.05 0.00 3.07 -1.93 0.19 117.51 119.36 1re5 h ILE 79 Ca -0.03 -0.33 -0.08 0.00 1.55 0.00 0.00 64.86 65.98 1re5 h ILE 79 Cb 0.51 0.13 -0.01 0.00 -0.27 0.00 0.00 36.82 37.17 1re5 h ILE 79 CO 0.02 0.17 -0.32 -0.65 -1.05 0.00 0.00 178.15 176.32 1re5 h PRO 80 N 0.95 0.09 -0.10 0.16 0.11 -1.78 -1.62 132.00 129.81 1re5 h PRO 80 Ca 0.27 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 66.25 1re5 h PRO 80 Cb -0.07 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.04 1re5 h PRO 80 CO -0.07 0.41 -0.33 1.25 -0.21 0.00 0.00 178.00 179.04 1re5 h LEU 81 N 0.08 0.47 -0.88 2.35 5.85 -0.95 -2.11 115.31 120.12 1re5 h LEU 81 Ca 0.01 -0.61 0.00 0.00 0.84 0.00 0.00 57.88 58.12 1re5 h LEU 81 Cb 0.61 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.46 1re5 h LEU 81 CO 0.04 1.00 0.55 0.58 -0.34 0.00 0.00 178.44 180.27 1re5 h VAL 82 N -0.04 1.24 -0.39 1.05 2.07 -0.51 0.18 116.25 119.84 1re5 h VAL 82 Ca -0.01 -0.49 -0.03 0.00 0.82 0.00 0.00 66.70 66.99 1re5 h VAL 82 Cb 0.96 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 1re5 h VAL 82 CO 0.07 0.24 0.13 0.50 0.02 0.00 0.00 177.57 178.53 1re5 h LYS 83 N 1.21 0.61 -0.33 1.57 3.64 -1.30 0.23 116.57 122.19 1re5 h LYS 83 Ca 0.32 -0.13 -0.06 0.00 -1.27 0.00 0.00 60.65 59.51 1re5 h LYS 83 Cb -0.08 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.63 1re5 h LYS 83 CO -0.06 0.61 -0.04 0.00 -2.27 0.00 0.00 179.45 177.69 1re5 h ALA 84 N 0.97 1.32 -0.36 5.00 0.00 -0.82 -1.94 119.26 123.43 1re5 h ALA 84 Ca 0.13 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 1re5 h ALA 84 Cb 0.25 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1re5 h ALA 84 CO -0.00 0.46 -0.09 1.25 0.00 0.00 0.00 179.25 180.86 1re5 h LEU 85 N 0.50 0.71 -0.60 0.00 5.85 -0.25 -2.77 115.31 118.75 1re5 h LEU 85 Ca 0.10 -0.37 0.02 0.00 0.84 0.00 0.00 57.88 58.48 1re5 h LEU 85 Cb 0.38 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 1re5 h LEU 85 CO 0.02 0.91 0.37 1.23 -0.34 0.00 0.00 178.44 180.63 1re5 h GLY 86 N 0.49 0.85 2.00 3.75 0.00 -0.50 -1.31 103.07 108.36 1re5 h GLY 86 Ca 0.09 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.13 1re5 h GLY 86 CO 0.04 0.25 0.00 0.07 0.00 0.00 0.00 176.54 176.90 1re5 h LYS 87 N 0.74 0.00 0.11 4.80 5.09 -1.27 -0.47 116.57 125.58 1re5 h LYS 87 Ca 0.23 0.00 -0.32 0.00 0.09 0.00 0.00 60.65 60.65 1re5 h LYS 87 Cb -0.01 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.30 1re5 h LYS 87 CO -0.08 0.00 -1.66 0.28 -2.09 0.00 0.00 179.45 175.90 1re5 h VAL 88 N 0.00 1.00 0.00 0.07 2.07 -1.04 -3.29 116.25 115.06 1re5 h VAL 88 Ca 0.00 -2.67 -0.07 0.00 0.82 0.00 0.00 66.70 64.78 1re5 h VAL 88 Cb 0.30 2.68 -0.01 0.00 -1.52 0.00 0.00 31.29 32.73 1re5 h VAL 88 CO 0.00 0.80 -0.33 0.40 0.02 0.00 0.00 177.57 178.46 1re5 h ILE 89 N 0.07 0.74 -0.45 4.57 2.04 -0.70 -3.15 117.51 120.62 1re5 h ILE 89 Ca -0.29 -1.48 -0.07 0.00 1.00 0.00 0.00 64.86 64.02 1re5 h ILE 89 Cb 2.03 1.95 -0.02 0.00 -0.74 0.00 0.00 36.82 40.05 1re5 h ILE 89 CO 0.14 0.33 -0.01 0.00 0.00 0.00 0.00 178.15 178.61 1re5 h ALA 90 N 1.67 0.60 -0.82 1.87 0.00 -1.19 -1.67 119.26 119.72 1re5 h ALA 90 Ca -0.00 -0.27 0.18 0.00 0.00 0.00 0.00 54.91 54.81 1re5 h ALA 90 Cb 0.93 -0.16 -0.11 0.00 0.00 0.00 0.00 17.79 18.44 1re5 h ALA 90 CO 0.04 0.40 0.33 1.15 0.00 0.00 0.00 179.25 181.17 1re5 h THR 91 N 0.64 0.56 0.00 0.00 2.02 -1.61 -3.04 112.91 111.47 1re5 h THR 91 Ca 0.13 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.16 1re5 h THR 91 Cb 0.50 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.03 1re5 h THR 91 CO 0.02 0.07 -0.00 0.61 0.37 0.00 0.00 175.52 176.60 1re5 n GLY 92 N -1.34 -0.51 3.05 2.16 0.00 -1.18 -4.81 105.19 102.56 1re5 n GLY 92 Ca 0.18 -0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 1re5 n GLY 92 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1re5 n VAL 93 N -2.35 3.30 -0.35 1.61 0.31 -0.64 -4.94 118.33 115.28 1re5 n VAL 93 Ca -0.00 -5.23 0.28 0.00 -0.01 0.00 0.00 64.34 59.38 1re5 n VAL 93 Cb 0.00 -2.34 0.53 0.00 -0.91 0.00 0.00 33.84 31.12 1re5 n VAL 93 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1re5 h PRO 94 N 5.79 0.21 -0.05 5.55 0.11 -1.59 0.10 132.00 142.13 1re5 h PRO 94 Ca 0.17 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1re5 h PRO 94 Cb 0.78 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.84 1re5 h PRO 94 CO 0.92 0.14 0.00 -0.85 -0.21 0.00 0.00 178.00 178.00 1re5 n GLU 95 N -5.03 1.19 0.02 1.05 0.00 -1.26 -2.95 120.64 113.66 1re5 n GLU 95 Ca 0.34 -0.29 0.05 0.00 0.00 0.00 0.00 57.16 57.25 1re5 n GLU 95 Cb 1.11 -1.28 -0.10 0.00 0.00 0.00 0.00 31.44 31.18 1re5 n GLU 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1re5 n ALA 96 N -0.46 2.28 -0.29 -1.84 0.00 0.36 -4.35 120.51 116.21 1re5 n ALA 96 Ca 0.13 -0.57 0.22 0.00 0.00 0.00 0.00 53.44 53.22 1re5 n ALA 96 Cb 0.12 -0.83 0.53 0.00 0.00 0.00 0.00 19.45 19.28 1re5 n ALA 96 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1re5 h GLU 97 N 0.00 0.36 0.00 0.00 4.81 -1.61 -1.46 114.58 116.67 1re5 h GLU 97 Ca -0.13 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 1re5 h GLU 97 Cb 1.35 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.65 1re5 h GLU 97 CO 0.02 0.24 0.00 2.89 -0.73 0.00 0.00 179.01 181.42 1re5 n ARG 98 N -4.55 0.23 0.00 1.92 1.85 -1.26 -3.23 116.66 111.62 1re5 n ARG 98 Ca 0.23 0.12 0.08 0.00 -1.00 0.00 0.00 57.85 57.29 1re5 n ARG 98 Cb 0.84 -1.50 -0.09 0.00 -1.05 0.00 0.00 32.46 30.67 1re5 n ARG 98 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1re5 n TYR 99 N -1.31 0.00 -2.37 2.89 4.02 -0.55 -4.89 117.16 114.95 1re5 n TYR 99 Ca 0.08 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.56 1re5 n TYR 99 Cb 0.15 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.44 1re5 n TYR 99 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1re5 s VAL 100 N -2.60 3.38 -1.78 -0.72 0.11 -1.20 -3.30 120.40 114.29 1re5 s VAL 100 Ca 0.08 1.28 0.00 0.00 -2.93 0.00 0.00 61.98 60.41 1re5 s VAL 100 Cb 0.14 -3.82 0.00 0.00 -1.53 0.00 0.00 36.38 31.17 1re5 s VAL 100 CO 0.69 0.26 0.00 1.57 -3.33 0.00 0.00 175.10 174.29 1re5 n HIS 101 N 1.69 -1.00 -2.10 1.54 -0.00 -1.26 -4.92 115.22 109.17 1re5 n HIS 101 Ca 0.01 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.31 1re5 n HIS 101 Cb 0.44 -3.94 -0.03 0.00 -0.00 0.00 0.00 29.99 26.46 1re5 n HIS 101 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.34 175.17 1re5 s LEU 102 N -6.01 4.31 0.00 0.27 2.96 -1.21 -3.18 118.68 115.82 1re5 s LEU 102 Ca 0.00 2.17 0.00 0.00 -0.22 0.00 0.00 54.13 56.08 1re5 s LEU 102 Cb 0.00 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.15 1re5 s LEU 102 CO 0.00 -0.85 0.00 0.61 -1.32 0.00 0.00 176.35 174.79 1re5 n GLY 103 N 3.93 1.34 3.76 7.98 0.00 -1.26 -5.02 105.19 115.92 1re5 n GLY 103 Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.91 1re5 n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1re5 s ALA 104 N -3.75 3.47 0.29 4.61 0.00 -1.19 -4.42 121.76 120.77 1re5 s ALA 104 Ca 0.00 -1.23 0.07 0.00 0.00 0.00 0.00 51.96 50.80 1re5 s ALA 104 Cb 0.00 -1.28 -0.03 0.00 0.00 0.00 0.00 23.12 21.82 1re5 s ALA 104 CO 0.00 0.52 0.30 -0.08 0.00 0.00 0.00 175.76 176.50 1re5 s THR 105 N -1.70 4.15 0.20 0.00 -1.32 -1.26 -4.78 115.64 110.93 1re5 s THR 105 Ca 0.30 -1.28 -0.13 0.00 -1.21 0.00 0.00 61.69 59.37 1re5 s THR 105 Cb -0.10 -3.38 0.18 0.00 -1.51 0.00 0.00 72.50 67.69 1re5 s THR 105 CO 0.22 -0.25 1.65 0.28 -2.21 0.00 0.00 174.62 174.31 1re5 h SER 106 N 1.27 -0.38 -0.01 8.08 0.02 -1.97 -1.24 113.55 119.32 1re5 h SER 106 Ca -0.47 0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 1re5 h SER 106 Cb 1.25 0.30 -0.00 0.00 0.14 0.00 0.00 62.40 64.08 1re5 h SER 106 CO 0.59 -0.14 0.01 -0.61 -1.14 0.00 0.00 176.83 175.53 1re5 h GLN 107 N 0.05 0.00 0.05 3.45 4.15 -1.97 -1.35 115.11 119.49 1re5 h GLN 107 Ca 0.28 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.70 1re5 h GLN 107 Cb 0.44 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.13 1re5 h GLN 107 CO -0.53 0.00 -0.02 -0.44 -1.93 0.00 0.00 178.83 175.91 1re5 h ASP 108 N 0.00 -0.05 -0.31 -0.69 3.32 -1.46 0.21 116.42 117.44 1re5 h ASP 108 Ca 0.00 -0.06 -0.02 0.00 0.02 0.00 0.00 57.03 56.98 1re5 h ASP 108 Cb 0.02 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 1re5 h ASP 108 CO -0.00 0.02 0.13 0.00 -1.72 0.00 0.00 179.24 177.68 1re5 h ALA 109 N 0.83 0.40 0.23 3.45 0.00 -1.35 -1.86 119.26 120.95 1re5 h ALA 109 Ca -0.01 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1re5 h ALA 109 Cb 0.11 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1re5 h ALA 109 CO 0.01 -0.02 -0.11 0.52 0.00 0.00 0.00 179.25 179.65 1re5 h MET 110 N 0.35 -0.30 -0.40 0.00 2.86 -1.13 0.02 114.93 116.34 1re5 h MET 110 Ca 0.10 0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 57.71 1re5 h MET 110 Cb 0.16 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.87 1re5 h MET 110 CO -0.01 -0.09 0.05 -0.44 1.06 0.00 0.00 176.91 177.48 1re5 h ASP 111 N -0.46 0.65 -0.56 1.22 3.32 -0.63 -1.03 116.42 118.93 1re5 h ASP 111 Ca -0.03 -0.28 -0.05 0.00 0.02 0.00 0.00 57.03 56.69 1re5 h ASP 111 Cb 0.35 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 1re5 h ASP 111 CO 0.05 0.76 0.15 0.74 -1.72 0.00 0.00 179.24 179.23 1re5 h THR 112 N 0.51 1.24 -0.65 0.35 2.02 -1.37 0.12 112.91 115.13 1re5 h THR 112 Ca 0.12 -0.85 0.05 0.00 0.77 0.00 0.00 66.41 66.51 1re5 h THR 112 Cb 0.40 0.73 -0.05 0.00 -1.74 0.00 0.00 68.15 67.49 1re5 h THR 112 CO 0.01 0.31 0.37 1.23 0.37 0.00 0.00 175.52 177.81 1re5 h GLY 113 N 0.79 0.95 0.97 2.16 0.00 -0.86 -0.77 103.07 106.31 1re5 h GLY 113 Ca 0.18 -0.26 -0.00 0.00 0.00 0.00 0.00 47.33 47.25 1re5 h GLY 113 CO -0.00 0.17 0.16 -2.00 0.00 0.00 0.00 176.54 174.86 1re5 h LEU 114 N 0.68 0.33 -0.92 3.11 6.46 -0.52 -1.68 115.31 122.76 1re5 h LEU 114 Ca 0.29 -0.06 0.09 0.00 -0.12 0.00 0.00 57.88 58.08 1re5 h LEU 114 Cb 0.16 -0.08 -0.07 0.00 -0.73 0.00 0.00 40.66 39.94 1re5 h LEU 114 CO -0.17 0.29 0.57 0.58 -0.62 0.00 0.00 178.44 179.09 1re5 h VAL 115 N 0.34 0.98 -0.27 1.05 2.07 -0.06 0.52 116.25 120.87 1re5 h VAL 115 Ca 0.10 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.28 1re5 h VAL 115 Cb 0.02 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 29.70 1re5 h VAL 115 CO -0.02 0.18 0.18 -0.07 0.02 0.00 0.00 177.57 177.86 1re5 h LEU 116 N 0.98 0.30 -0.88 2.57 3.38 -0.57 0.15 115.31 121.24 1re5 h LEU 116 Ca 0.43 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.35 1re5 h LEU 116 Cb 0.31 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 1re5 h LEU 116 CO -0.22 0.22 0.33 1.56 0.09 0.00 0.00 178.44 180.42 1re5 h GLN 117 N 0.36 1.15 -0.29 1.13 4.20 -0.20 -2.00 115.11 119.45 1re5 h GLN 117 Ca 0.10 -0.19 -0.03 0.00 0.06 0.00 0.00 58.65 58.59 1re5 h GLN 117 Cb -0.04 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.53 1re5 h GLN 117 CO -0.03 0.91 0.04 -0.07 -0.67 0.00 0.00 178.83 179.02 1re5 h LEU 118 N 1.13 0.38 -0.22 1.46 3.38 0.69 -0.57 115.31 121.56 1re5 h LEU 118 Ca 0.26 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.16 1re5 h LEU 118 Cb 0.18 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1re5 h LEU 118 CO -0.03 0.42 0.04 -0.09 0.09 0.00 0.00 178.44 178.87 1re5 h ARG 119 N 0.41 0.36 -0.68 1.13 2.43 0.00 0.49 114.38 118.52 1re5 h ARG 119 Ca 0.10 -0.10 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 1re5 h ARG 119 Cb 0.21 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.68 1re5 h ARG 119 CO 0.00 0.50 0.27 -0.44 -1.51 0.00 0.00 179.97 178.79 1re5 h ASP 120 N 0.16 0.93 -0.23 -3.80 3.32 -1.11 -1.13 116.42 114.57 1re5 h ASP 120 Ca 0.07 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 1re5 h ASP 120 Cb 0.31 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 1re5 h ASP 120 CO 0.00 0.84 0.09 0.00 -1.72 0.00 0.00 179.24 178.45 1re5 h ALA 121 N 1.30 0.30 -0.47 3.45 0.00 -0.73 -2.21 119.26 120.90 1re5 h ALA 121 Ca 0.23 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 55.09 1re5 h ALA 121 Cb 0.20 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 1re5 h ALA 121 CO -0.02 -0.10 0.15 1.25 0.00 0.00 0.00 179.25 180.54 1re5 h LEU 122 N 0.22 0.14 -1.01 0.00 6.46 0.46 -1.05 115.31 120.54 1re5 h LEU 122 Ca 0.08 0.06 0.07 0.00 -0.12 0.00 0.00 57.88 57.97 1re5 h LEU 122 Cb 0.19 0.05 -0.07 0.00 -0.73 0.00 0.00 40.66 40.10 1re5 h LEU 122 CO -0.01 0.11 0.65 0.44 -0.62 0.00 0.00 178.44 179.01 1re5 h ASP 123 N 0.32 1.03 0.10 1.25 3.45 -1.01 0.02 116.42 121.58 1re5 h ASP 123 Ca 0.23 0.01 -0.01 0.00 0.43 0.00 0.00 57.03 57.70 1re5 h ASP 123 Cb 0.25 -0.20 0.00 0.00 -0.56 0.00 0.00 39.33 38.81 1re5 h ASP 123 CO -0.25 0.64 -0.05 -0.07 -1.57 0.00 0.00 179.24 177.95 1re5 h LEU 124 N 1.16 -0.12 -1.13 1.55 3.38 -0.60 -2.56 115.31 116.99 1re5 h LEU 124 Ca 0.44 -0.28 0.11 0.00 0.09 0.00 0.00 57.88 58.24 1re5 h LEU 124 Cb 0.21 0.03 -0.07 0.00 0.09 0.00 0.00 40.66 40.92 1re5 h LEU 124 CO -0.19 0.22 0.60 0.40 0.09 0.00 0.00 178.44 179.57 1re5 h ILE 125 N -0.47 0.95 -0.31 1.22 2.04 -0.98 0.22 117.51 120.19 1re5 h ILE 125 Ca -0.01 -0.32 -0.15 0.00 1.00 0.00 0.00 64.86 65.38 1re5 h ILE 125 Cb 0.39 -0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.40 1re5 h ILE 125 CO 0.02 0.17 -0.40 -0.33 0.00 0.00 0.00 178.15 177.61 1re5 h GLU 126 N 0.93 0.74 0.85 2.37 5.08 -0.96 -0.45 114.58 123.14 1re5 h GLU 126 Ca 0.45 -0.39 -0.04 0.00 -1.00 0.00 0.00 59.36 58.38 1re5 h GLU 126 Cb 0.44 0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.71 1re5 h GLU 126 CO -0.21 1.01 -0.41 0.00 -1.00 0.00 0.00 179.01 178.41 1re5 h ALA 127 N 0.94 -1.14 -0.70 3.43 0.00 -0.81 -1.19 119.26 119.78 1re5 h ALA 127 Ca 0.05 -0.25 0.08 0.00 0.00 0.00 0.00 54.91 54.79 1re5 h ALA 127 Cb 0.95 0.44 -0.07 0.00 0.00 0.00 0.00 17.79 19.11 1re5 h ALA 127 CO 0.09 -1.10 0.37 -0.44 0.00 0.00 0.00 179.25 178.16 1re5 h ASP 128 N -1.21 0.50 0.13 0.00 3.32 -1.01 -0.10 116.42 118.05 1re5 h ASP 128 Ca -0.12 0.05 0.02 0.00 0.02 0.00 0.00 57.03 57.00 1re5 h ASP 128 Cb 0.88 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 40.36 1re5 h ASP 128 CO 0.19 0.30 -0.25 -0.07 -1.72 0.00 0.00 179.24 177.69 1re5 h LEU 129 N 0.64 -0.70 -0.66 1.55 3.38 -0.95 0.21 115.31 118.78 1re5 h LEU 129 Ca 0.34 0.08 0.04 0.00 0.09 0.00 0.00 57.88 58.43 1re5 h LEU 129 Cb 0.31 0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.28 1re5 h LEU 129 CO -0.24 -0.34 0.39 1.23 0.09 0.00 0.00 178.44 179.57 1re5 h GLY 130 N -0.46 0.95 1.00 0.83 0.00 -0.62 0.18 103.07 104.95 1re5 h GLY 130 Ca 0.03 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.08 1re5 h GLY 130 CO -0.14 0.21 0.01 1.70 0.00 0.00 0.00 176.54 178.33 1re5 h LYS 131 N 0.74 0.03 -0.85 4.80 3.64 -0.63 -0.73 116.57 123.57 1re5 h LYS 131 Ca 0.28 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.65 1re5 h LYS 131 Cb 0.10 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.87 1re5 h LYS 131 CO -0.14 0.02 0.49 1.25 -2.27 0.00 0.00 179.45 178.80 1re5 h LEU 132 N 0.02 1.04 -0.81 5.20 5.85 -0.10 -2.41 115.31 124.10 1re5 h LEU 132 Ca 0.01 -0.07 -0.07 0.00 0.84 0.00 0.00 57.88 58.58 1re5 h LEU 132 Cb 0.00 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.74 1re5 h LEU 132 CO -0.00 0.82 0.08 0.00 -0.34 0.00 0.00 178.44 178.99 1re5 h ALA 133 N 1.36 1.01 0.90 1.25 0.00 -0.27 -0.61 119.26 122.90 1re5 h ALA 133 Ca 0.30 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1re5 h ALA 133 Cb -0.01 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.56 1re5 h ALA 133 CO -0.05 0.62 -0.43 -0.44 0.00 0.00 0.00 179.25 178.95 1re5 h ASP 134 N 0.91 -1.03 -0.39 0.00 3.32 -0.70 0.67 116.42 119.21 1re5 h ASP 134 Ca 0.18 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.27 1re5 h ASP 134 Cb 0.43 0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.22 1re5 h ASP 134 CO 0.01 -0.70 0.25 0.71 -1.72 0.00 0.00 179.24 177.80 1re5 h THR 135 N -1.28 1.10 -0.12 0.35 1.35 -1.41 0.14 112.91 113.04 1re5 h THR 135 Ca -0.12 -0.20 -0.11 0.00 -0.55 0.00 0.00 66.41 65.42 1re5 h THR 135 Cb 0.93 0.54 -0.01 0.00 -1.73 0.00 0.00 68.15 67.87 1re5 h THR 135 CO 0.20 0.10 -0.42 0.25 -0.25 0.00 0.00 175.52 175.41 1re5 h LEU 136 N 0.53 0.29 -0.34 3.87 5.85 -0.98 -2.05 115.31 122.49 1re5 h LEU 136 Ca 0.14 -0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 1re5 h LEU 136 Cb -0.05 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 1re5 h LEU 136 CO -0.03 0.68 0.10 -1.28 -0.34 0.00 0.00 178.44 177.57 1re5 h SER 137 N 0.23 0.50 0.01 1.25 0.87 0.11 -1.16 113.55 115.36 1re5 h SER 137 Ca 0.02 -0.21 -0.00 0.00 -1.23 0.00 0.00 61.79 60.37 1re5 h SER 137 Cb 0.84 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.67 1re5 h SER 137 CO 0.07 0.57 -0.00 1.56 -0.53 0.00 0.00 176.83 178.50 1re5 h GLN 138 N 0.39 -0.01 -0.51 2.24 4.20 -1.08 -2.07 115.11 118.28 1re5 h GLN 138 Ca 0.11 0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.89 1re5 h GLN 138 Cb 0.26 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.98 1re5 h GLN 138 CO -0.00 0.11 0.19 1.96 -0.67 0.00 0.00 178.83 180.42 1re5 h GLN 139 N -0.12 0.37 -0.47 1.46 1.08 -1.32 0.40 115.11 116.50 1re5 h GLN 139 Ca -0.00 -0.02 0.07 0.00 -1.45 0.00 0.00 58.65 57.25 1re5 h GLN 139 Cb 0.12 -0.08 -0.06 0.00 -0.05 0.00 0.00 27.48 27.41 1re5 h GLN 139 CO 0.00 0.24 0.13 0.00 -0.95 0.00 0.00 178.83 178.26 1re5 h ALA 140 N 1.33 0.55 -0.17 3.87 0.00 -0.96 -0.45 119.26 123.43 1re5 h ALA 140 Ca 0.24 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 1re5 h ALA 140 Cb 0.25 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1re5 h ALA 140 CO -0.24 -0.27 0.02 -0.07 0.00 0.00 0.00 179.25 178.69 1re5 h LEU 141 N 0.28 0.28 -0.79 0.00 3.38 -0.60 0.05 115.31 117.92 1re5 h LEU 141 Ca 0.23 -0.27 0.15 0.00 0.09 0.00 0.00 57.88 58.08 1re5 h LEU 141 Cb 0.27 -0.07 -0.10 0.00 0.09 0.00 0.00 40.66 40.85 1re5 h LEU 141 CO -0.27 0.48 0.34 0.50 0.09 0.00 0.00 178.44 179.59 1re5 h LYS 142 N 0.07 0.47 -0.47 1.13 3.64 0.46 -1.29 116.57 120.58 1re5 h LYS 142 Ca 0.05 -0.03 -0.17 0.00 -1.27 0.00 0.00 60.65 59.24 1re5 h LYS 142 Cb 0.32 -0.11 -0.10 0.00 -0.41 0.00 0.00 32.23 31.94 1re5 h LYS 142 CO 0.00 0.31 0.10 0.72 -2.27 0.00 0.00 179.45 178.31 1re5 n HIS 143 N -4.97 1.54 0.02 1.91 8.25 -0.24 -4.70 115.22 117.03 1re5 n HIS 143 Ca 0.16 -1.31 0.22 0.00 -0.26 0.00 0.00 57.72 56.53 1re5 n HIS 143 Cb 0.44 -0.52 0.70 0.00 1.12 0.00 0.00 29.99 31.72 1re5 n HIS 143 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1re5 h ALA 144 N 1.61 2.30 0.00 -1.41 0.00 0.26 -1.06 119.26 120.95 1re5 h ALA 144 Ca 0.20 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1re5 h ALA 144 Cb 1.86 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.69 1re5 h ALA 144 CO 0.49 -0.87 -0.23 -0.40 0.00 0.00 0.00 179.25 178.23 1re5 n ASP 145 N -3.66 0.90 -4.65 0.00 3.85 -1.26 -4.30 116.55 107.43 1re5 n ASP 145 Ca 0.11 -2.20 -0.43 0.00 -0.71 0.00 0.00 54.79 51.56 1re5 n ASP 145 Cb 0.79 -0.23 -0.02 0.00 -1.35 0.00 0.00 41.12 40.31 1re5 n ASP 145 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.20 176.47 1re5 s THR 146 N -0.98 4.65 0.27 2.12 -1.32 -1.04 -4.98 115.64 114.36 1re5 s THR 146 Ca 0.10 1.83 -0.29 0.00 -1.21 0.00 0.00 61.69 62.12 1re5 s THR 146 Cb 0.09 -4.32 -0.09 0.00 -1.51 0.00 0.00 72.50 66.67 1re5 s THR 146 CO 0.01 -0.27 0.98 -2.16 -2.21 0.00 0.00 174.62 170.97 1re5 s PRO 147 N 3.30 4.74 0.03 7.08 0.04 -1.26 -1.97 135.00 146.95 1re5 s PRO 147 Ca 0.43 1.54 -0.02 0.00 0.04 0.00 0.00 61.00 62.99 1re5 s PRO 147 Cb -0.14 -3.15 -0.02 0.00 0.04 0.00 0.00 34.50 31.22 1re5 s PRO 147 CO 0.10 0.38 -0.00 -0.48 0.04 0.00 0.00 177.00 177.04 1re5 s LEU 148 N -1.44 2.23 0.48 -3.56 2.34 -0.30 -4.49 118.68 113.94 1re5 s LEU 148 Ca 0.44 -0.67 -0.22 0.00 0.06 0.00 0.00 54.13 53.74 1re5 s LEU 148 Cb -0.26 0.24 -0.07 0.00 -0.56 0.00 0.00 46.19 45.54 1re5 s LEU 148 CO 0.33 -0.44 1.19 0.54 -1.06 0.00 0.00 176.35 176.90 1re5 s VAL 149 N -2.49 2.97 0.26 1.48 0.11 -1.26 -1.25 120.40 120.22 1re5 s VAL 149 Ca -0.06 0.72 -0.23 0.00 -2.93 0.00 0.00 61.98 59.48 1re5 s VAL 149 Cb -0.02 -3.36 -0.09 0.00 -1.53 0.00 0.00 36.38 31.38 1re5 s VAL 149 CO -0.05 -0.02 0.82 -0.83 -3.33 0.00 0.00 175.10 171.69 1re5 s GLY 150 N -1.35 2.72 -0.20 6.54 0.00 -0.97 -4.68 107.32 109.38 1re5 s GLY 150 Ca 0.66 0.33 0.01 0.00 0.00 0.00 0.00 44.72 45.72 1re5 s GLY 150 CO 0.36 0.73 -0.15 0.50 0.00 0.00 0.00 173.10 174.54 1re5 s ARG 151 N -1.94 2.51 -0.18 2.90 0.52 -1.26 0.10 118.95 121.60 1re5 s ARG 151 Ca 0.45 -0.90 -0.00 0.00 -0.52 0.00 0.00 55.73 54.76 1re5 s ARG 151 Cb -0.18 -2.54 0.00 0.00 0.52 0.00 0.00 34.95 32.76 1re5 s ARG 151 CO 0.23 -0.34 -0.14 0.99 0.02 0.00 0.00 175.30 176.05 1re5 s THR 152 N 1.30 2.61 -1.30 0.02 2.01 0.98 -4.55 115.64 116.72 1re5 s THR 152 Ca 0.01 -0.77 -0.01 0.00 0.31 0.00 0.00 61.69 61.23 1re5 s THR 152 Cb -0.15 -2.13 0.00 0.00 0.01 0.00 0.00 72.50 70.24 1re5 s THR 152 CO -0.10 0.50 0.07 0.79 -0.69 0.00 0.00 174.62 175.19 1re5 n TRP 153 N 4.44 -1.36 -1.08 4.92 7.02 -1.26 0.26 117.44 130.38 1re5 n TRP 153 Ca -0.20 0.06 -0.03 0.00 -1.02 0.00 0.00 57.50 56.32 1re5 n TRP 153 Cb 0.51 -3.20 -0.01 0.00 -2.42 0.00 0.00 31.31 26.19 1re5 n TRP 153 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 1re5 n LEU 154 N -2.99 0.13 -4.67 -0.99 4.77 -1.26 -5.01 117.00 106.97 1re5 n LEU 154 Ca -0.16 0.07 -0.31 0.00 -0.03 0.00 0.00 56.01 55.58 1re5 n LEU 154 Cb 0.63 -1.51 -0.09 0.00 -2.33 0.00 0.00 43.42 40.13 1re5 n LEU 154 CO 0.24 -0.49 -0.34 -1.10 -1.33 0.00 0.00 177.39 174.37 1re5 s GLN 155 N -1.51 2.58 0.30 3.23 -1.52 0.14 -5.05 119.66 117.84 1re5 s GLN 155 Ca 0.00 -0.78 -0.29 0.00 -1.95 0.00 0.00 55.36 52.34 1re5 s GLN 155 Cb 0.00 -2.56 -0.11 0.00 -0.22 0.00 0.00 33.01 30.13 1re5 s GLN 155 CO 0.00 0.57 1.47 -1.01 -0.25 0.00 0.00 175.29 176.06 1re5 s HIS 156 N -1.22 2.86 0.32 0.91 3.76 -1.26 -0.02 115.29 120.64 1re5 s HIS 156 Ca 0.23 1.06 0.06 0.00 -0.15 0.00 0.00 55.06 56.27 1re5 s HIS 156 Cb -0.12 -3.91 -0.03 0.00 1.11 0.00 0.00 32.58 29.64 1re5 s HIS 156 CO 0.15 -2.83 0.26 0.00 -0.85 0.00 0.00 174.74 171.46 1re5 s ALA 157 N -0.46 1.83 0.59 -1.40 0.00 0.29 -4.80 121.76 117.80 1re5 s ALA 157 Ca 0.57 -2.00 -0.18 0.00 0.00 0.00 0.00 51.96 50.35 1re5 s ALA 157 Cb -0.44 1.44 -0.10 0.00 0.00 0.00 0.00 23.12 24.02 1re5 s ALA 157 CO 0.51 -0.64 0.31 0.25 0.00 0.00 0.00 175.76 176.18 1re5 n THR 158 N -0.59 1.52 -0.88 0.00 -2.24 -1.26 -2.36 114.28 108.47 1re5 n THR 158 Ca 0.06 -0.49 -0.34 0.00 -2.27 0.00 0.00 64.05 61.02 1re5 n THR 158 Cb 0.63 -0.48 0.09 0.00 -2.10 0.00 0.00 70.33 68.47 1re5 n THR 158 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 1re5 n PRO 159 N 0.35 -0.18 -3.98 -0.78 -0.02 -1.26 -2.30 135.00 126.82 1re5 n PRO 159 Ca 0.10 -0.02 -0.09 0.00 -2.02 0.00 0.00 63.50 61.46 1re5 n PRO 159 Cb 0.48 -1.59 -0.05 0.00 -0.02 0.00 0.00 33.50 32.32 1re5 n PRO 159 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1re5 s VAL 160 N -2.26 0.00 0.13 -1.45 1.01 -0.38 -4.63 120.40 112.82 1re5 s VAL 160 Ca 0.52 -1.36 0.11 0.00 0.00 0.00 0.00 61.98 61.24 1re5 s VAL 160 Cb -0.21 -2.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.88 1re5 s VAL 160 CO 0.72 0.00 -0.25 0.28 0.00 0.00 0.00 175.10 175.85 1re5 s THR 161 N -3.85 2.36 0.32 3.92 -1.32 -1.26 -1.15 115.64 114.66 1re5 s THR 161 Ca 0.22 -1.73 0.02 0.00 -1.21 0.00 0.00 61.69 58.99 1re5 s THR 161 Cb -0.01 -2.06 0.19 0.00 -1.51 0.00 0.00 72.50 69.11 1re5 s THR 161 CO 0.10 0.08 1.90 0.25 -2.21 0.00 0.00 174.62 174.74 1re5 h LEU 162 N 3.82 0.65 -1.07 9.08 5.85 -1.52 -1.69 115.31 130.43 1re5 h LEU 162 Ca -0.51 -0.09 -0.07 0.00 0.84 0.00 0.00 57.88 58.06 1re5 h LEU 162 Cb 1.17 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.02 1re5 h LEU 162 CO 0.41 0.62 -0.07 1.23 -0.34 0.00 0.00 178.44 180.29 1re5 h GLY 163 N 0.87 0.62 0.91 3.75 0.00 -1.41 -1.52 103.07 106.29 1re5 h GLY 163 Ca 0.17 -0.41 0.01 0.00 0.00 0.00 0.00 47.33 47.09 1re5 h GLY 163 CO -0.01 0.38 0.00 1.98 0.00 0.00 0.00 176.54 178.90 1re5 h MET 164 N 0.54 0.03 0.41 4.80 1.85 -1.57 0.10 114.93 121.10 1re5 h MET 164 Ca 0.11 -0.00 -0.01 0.00 -0.61 0.00 0.00 59.70 59.18 1re5 h MET 164 Cb 0.45 -0.01 -0.01 0.00 0.43 0.00 0.00 31.60 32.46 1re5 h MET 164 CO 0.02 0.02 -0.31 0.87 -0.40 0.00 0.00 176.91 177.11 1re5 h LYS 165 N 0.03 -0.69 -0.32 0.39 1.57 -1.14 -2.16 116.57 114.25 1re5 h LYS 165 Ca 0.03 0.05 0.06 0.00 -1.87 0.00 0.00 60.65 58.92 1re5 h LYS 165 Cb 0.03 0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 1re5 h LYS 165 CO -0.05 -0.46 0.22 -0.07 -0.57 0.00 0.00 179.45 178.53 1re5 h LEU 166 N -0.72 0.13 -1.14 2.94 3.38 -1.11 -1.27 115.31 117.51 1re5 h LEU 166 Ca -0.04 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 1re5 h LEU 166 Cb 0.62 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 1re5 h LEU 166 CO 0.00 0.08 -0.09 0.00 0.09 0.00 0.00 178.44 178.53 1re5 h ALA 167 N 1.83 1.29 -0.63 1.53 0.00 -0.16 -1.41 119.26 121.71 1re5 h ALA 167 Ca 0.15 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1re5 h ALA 167 Cb 0.39 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1re5 h ALA 167 CO -0.02 0.47 0.32 0.78 0.00 0.00 0.00 179.25 180.80 1re5 h GLY 168 N 0.89 0.95 1.05 0.00 0.00 -0.77 0.29 103.07 105.48 1re5 h GLY 168 Ca 0.09 -0.46 -0.07 0.00 0.00 0.00 0.00 47.33 46.89 1re5 h GLY 168 CO 0.02 0.44 0.13 -2.08 0.00 0.00 0.00 176.54 175.05 1re5 h VAL 169 N 0.86 1.26 -0.34 4.60 2.07 -1.44 -2.19 116.25 121.07 1re5 h VAL 169 Ca 0.22 -0.99 0.03 0.00 0.82 0.00 0.00 66.70 66.78 1re5 h VAL 169 Cb 0.09 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 1re5 h VAL 169 CO -0.03 0.37 0.15 0.25 0.02 0.00 0.00 177.57 178.33 1re5 h LEU 170 N 0.97 0.19 -0.21 2.57 5.85 -0.39 -1.29 115.31 123.01 1re5 h LEU 170 Ca 0.20 0.03 0.06 0.00 0.84 0.00 0.00 57.88 59.00 1re5 h LEU 170 Cb 0.41 -0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.36 1re5 h LEU 170 CO 0.01 0.15 -0.26 1.23 -0.34 0.00 0.00 178.44 179.22 1re5 h GLY 171 N 0.31 -0.25 0.79 3.75 0.00 -0.05 -0.83 103.07 106.79 1re5 h GLY 171 Ca 0.15 0.33 0.03 0.00 0.00 0.00 0.00 47.33 47.84 1re5 h GLY 171 CO -0.13 -0.20 0.20 0.00 0.00 0.00 0.00 176.54 176.41 1re5 h ALA 172 N 0.68 0.50 -0.64 3.60 0.00 -1.12 -1.94 119.26 120.36 1re5 h ALA 172 Ca 0.12 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.06 1re5 h ALA 172 Cb 0.48 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1re5 h ALA 172 CO -0.37 -0.16 0.42 -0.07 0.00 0.00 0.00 179.25 179.07 1re5 h LEU 173 N 0.41 0.72 -0.23 0.00 3.38 -0.64 -1.25 115.31 117.70 1re5 h LEU 173 Ca 0.17 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 1re5 h LEU 173 Cb 0.08 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1re5 h LEU 173 CO -0.12 0.52 0.03 0.74 0.09 0.00 0.00 178.44 179.69 1re5 h THR 174 N 0.85 1.23 -0.50 0.22 2.02 -0.60 -1.79 112.91 114.34 1re5 h THR 174 Ca 0.24 -0.79 0.05 0.00 0.77 0.00 0.00 66.41 66.68 1re5 h THR 174 Cb -0.07 1.31 -0.03 0.00 -1.74 0.00 0.00 68.15 67.62 1re5 h THR 174 CO -0.05 0.25 0.33 0.03 0.37 0.00 0.00 175.52 176.44 1re5 h ARG 175 N 0.18 0.48 -0.08 6.66 3.08 -0.72 -1.34 114.38 122.65 1re5 h ARG 175 Ca 0.07 -0.03 -0.17 0.00 0.07 0.00 0.00 59.98 59.92 1re5 h ARG 175 Cb 0.34 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 1re5 h ARG 175 CO 0.01 0.32 -0.67 0.45 -1.07 0.00 0.00 179.97 179.01 1re5 h HIS 176 N 0.50 0.46 -0.43 3.04 3.86 -0.80 -1.45 115.15 120.33 1re5 h HIS 176 Ca 0.21 -0.19 -0.09 0.00 -1.16 0.00 0.00 60.37 59.14 1re5 h HIS 176 Cb 0.20 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 28.58 1re5 h HIS 176 CO -0.00 0.91 -0.08 0.00 0.86 0.00 0.00 177.93 179.62 1re5 h ARG 177 N 0.25 0.75 -0.02 2.45 3.08 -0.53 -0.05 114.38 120.30 1re5 h ARG 177 Ca -0.02 -0.23 -0.00 0.00 0.07 0.00 0.00 59.98 59.80 1re5 h ARG 177 Cb 1.22 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 31.20 1re5 h ARG 177 CO 0.11 0.81 0.01 0.37 -1.07 0.00 0.00 179.97 180.20 1re5 h GLN 178 N 0.68 0.03 -0.41 0.04 4.15 -1.09 -1.49 115.11 117.03 1re5 h GLN 178 Ca 0.12 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.53 1re5 h GLN 178 Cb 0.54 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.21 1re5 h GLN 178 CO 0.03 0.16 0.24 0.00 -1.93 0.00 0.00 178.83 177.34 1re5 h ARG 179 N -0.11 0.56 -0.23 1.69 3.08 -0.92 -1.42 114.38 117.03 1re5 h ARG 179 Ca 0.01 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 1re5 h ARG 179 Cb 0.14 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 1re5 h ARG 179 CO -0.00 0.42 0.12 -0.07 -1.07 0.00 0.00 179.97 179.37 1re5 h LEU 180 N 0.54 0.28 -0.25 3.04 4.07 -0.92 -1.38 115.31 120.69 1re5 h LEU 180 Ca 0.15 -0.01 -0.18 0.00 0.08 0.00 0.00 57.88 57.91 1re5 h LEU 180 Cb 0.01 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 41.68 1re5 h LEU 180 CO -0.03 0.24 -0.54 -0.61 -1.08 0.00 0.00 178.44 176.42 1re5 h GLN 181 N 0.32 0.81 -0.11 1.13 4.15 -0.64 -2.66 115.11 118.10 1re5 h GLN 181 Ca 0.08 -0.53 -0.13 0.00 0.77 0.00 0.00 58.65 58.84 1re5 h GLN 181 Cb 0.03 0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.78 1re5 h GLN 181 CO -0.01 1.16 -0.50 0.93 -1.93 0.00 0.00 178.83 178.48 1re5 h GLU 182 N 0.56 0.30 0.00 1.69 5.08 -0.60 -3.16 114.58 118.45 1re5 h GLU 182 Ca 0.00 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 1re5 h GLU 182 Cb 1.15 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1re5 h GLU 182 CO 0.12 0.73 -0.33 1.37 -1.00 0.00 0.00 179.01 179.90 1re5 h LEU 183 N 0.24 0.00 -0.53 1.33 8.10 -1.29 -3.38 115.31 119.77 1re5 h LEU 183 Ca 0.01 -0.02 0.11 0.00 0.11 0.00 0.00 57.88 58.09 1re5 h LEU 183 Cb 0.96 0.00 -0.11 0.00 -0.44 0.00 0.00 40.66 41.08 1re5 h LEU 183 CO 0.08 0.01 -0.21 -0.09 -4.11 0.00 0.00 178.44 174.12 1re5 h ARG 184 N 0.00 -0.08 0.00 0.17 2.43 -1.44 0.15 114.38 115.61 1re5 h ARG 184 Ca 0.00 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1re5 h ARG 184 Cb 0.95 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.52 1re5 h ARG 184 CO 0.00 -0.06 -0.07 -1.00 -1.51 0.00 0.00 179.97 177.34 1re5 h PRO 185 N -0.09 0.00 0.12 0.20 0.13 -1.78 -2.14 132.00 128.45 1re5 h PRO 185 Ca 0.25 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 65.17 1re5 h PRO 185 Cb 0.47 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.61 1re5 h PRO 185 CO -0.59 0.07 -0.96 -0.09 -0.23 0.00 0.00 178.00 176.20 1re5 h ARG 186 N 0.00 0.26 -0.07 0.86 2.43 -1.20 -3.39 114.38 113.27 1re5 h ARG 186 Ca -0.00 -0.45 -0.14 0.00 -0.81 0.00 0.00 59.98 58.58 1re5 h ARG 186 Cb 0.36 0.17 0.01 0.00 -0.42 0.00 0.00 29.97 30.09 1re5 h ARG 186 CO 0.01 1.21 -0.50 1.25 -1.51 0.00 0.00 179.97 180.44 1re5 h LEU 187 N -0.40 0.56 -5.81 3.80 5.85 -0.68 -3.39 115.31 115.25 1re5 h LEU 187 Ca -0.19 -0.67 -0.67 0.00 0.84 0.00 0.00 57.88 57.19 1re5 h LEU 187 Cb 1.64 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.50 1re5 h LEU 187 CO 0.11 1.14 3.14 0.18 -0.34 0.00 0.00 178.44 182.67 1re5 n LEU 188 N -4.26 6.73 -4.51 2.25 4.77 -0.82 -4.90 117.00 116.27 1re5 n LEU 188 Ca -0.09 -3.91 -0.24 0.00 -0.03 0.00 0.00 56.01 51.75 1re5 n LEU 188 Cb 0.60 -1.51 -0.09 0.00 -2.33 0.00 0.00 43.42 40.09 1re5 n LEU 188 CO 0.46 1.07 -0.45 0.68 -1.33 0.00 0.00 177.39 177.82 1re5 s VAL 189 N 3.26 2.72 0.32 4.08 -7.23 -1.26 -2.19 120.40 120.10 1re5 s VAL 189 Ca 0.53 -2.24 -0.20 0.00 -1.81 0.00 0.00 61.98 58.25 1re5 s VAL 189 Cb 0.15 -2.43 -0.09 0.00 0.56 0.00 0.00 36.38 34.57 1re5 s VAL 189 CO -0.05 -0.37 0.83 -0.22 -0.31 0.00 0.00 175.10 174.99 1re5 s LEU 190 N -3.47 4.18 -0.39 1.32 2.96 -0.01 -4.86 118.68 118.40 1re5 s LEU 190 Ca 0.30 1.55 -0.02 0.00 -0.22 0.00 0.00 54.13 55.74 1re5 s LEU 190 Cb -0.06 -4.03 0.10 0.00 0.50 0.00 0.00 46.19 42.71 1re5 s LEU 190 CO 0.16 -0.14 0.17 -1.58 -1.32 0.00 0.00 176.35 173.64 1re5 s GLN 191 N -2.51 1.97 -0.32 1.98 2.00 -1.26 -4.50 119.66 117.02 1re5 s GLN 191 Ca 0.52 -1.79 -0.01 0.00 -2.00 0.00 0.00 55.36 52.07 1re5 s GLN 191 Cb -0.14 -3.51 0.13 0.00 0.80 0.00 0.00 33.01 30.28 1re5 s GLN 191 CO 0.19 -1.03 0.22 0.12 -0.50 0.00 0.00 175.29 174.29 1re5 s PHE 192 N 1.12 0.16 0.00 1.67 5.36 -1.26 -4.53 117.98 120.50 1re5 s PHE 192 Ca 0.08 -0.91 0.00 0.00 -0.96 0.00 0.00 56.93 55.14 1re5 s PHE 192 Cb -0.22 -0.74 0.00 0.00 -0.34 0.00 0.00 43.02 41.72 1re5 s PHE 192 CO -0.04 -0.87 0.00 0.41 -1.46 0.00 0.00 175.22 173.26 1re5 n GLY 193 N 4.82 0.26 0.20 13.12 0.00 -1.26 -4.73 105.19 117.60 1re5 n GLY 193 Ca 0.02 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.06 1re5 n GLY 193 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1re5 n GLY 194 N 0.97 -1.70 0.07 -0.02 0.00 -1.26 -1.13 105.19 102.12 1re5 n GLY 194 Ca 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.56 1re5 n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1re5 n ALA 195 N -1.91 -0.01 -1.32 4.61 0.00 -1.26 -0.55 120.51 120.07 1re5 n ALA 195 Ca -0.00 0.18 0.05 0.00 0.00 0.00 0.00 53.44 53.67 1re5 n ALA 195 Cb 0.09 -0.09 0.08 0.00 0.00 0.00 0.00 19.45 19.53 1re5 n ALA 195 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1re5 n SER 196 N -4.27 1.41 0.00 0.00 3.41 -1.26 -4.98 113.62 107.93 1re5 n SER 196 Ca 0.02 -2.56 0.00 0.00 -0.26 0.00 0.00 58.87 56.07 1re5 n SER 196 Cb 0.07 -0.30 0.00 0.00 -0.26 0.00 0.00 64.21 63.72 1re5 n SER 196 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1re5 n GLY 197 N -0.82 0.64 0.08 5.00 0.00 0.29 -4.88 105.19 105.49 1re5 n GLY 197 Ca 0.09 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.22 1re5 n GLY 197 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1re5 n SER 198 N -0.04 0.64 -1.74 1.61 3.41 -0.95 -4.80 113.62 111.74 1re5 n SER 198 Ca 0.00 0.19 -0.20 0.00 -0.26 0.00 0.00 58.87 58.60 1re5 n SER 198 Cb 0.02 0.81 -0.07 0.00 -0.26 0.00 0.00 64.21 64.70 1re5 n SER 198 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1re5 n LEU 199 N -2.49 -1.54 -0.06 1.04 7.94 -0.28 -4.85 117.00 116.77 1re5 n LEU 199 Ca -0.01 0.40 0.10 0.00 -1.11 0.00 0.00 56.01 55.40 1re5 n LEU 199 Cb 0.54 -2.79 0.48 0.00 0.53 0.00 0.00 43.42 42.18 1re5 n LEU 199 CO 0.41 -0.89 1.18 0.00 -1.11 0.00 0.00 177.39 176.98 1re5 h ALA 200 N 0.26 1.94 -0.33 1.96 0.00 -1.91 -2.55 119.26 118.63 1re5 h ALA 200 Ca -0.42 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 54.57 1re5 h ALA 200 Cb 1.32 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1re5 h ALA 200 CO 0.60 -0.04 0.31 0.00 0.00 0.00 0.00 179.25 180.11 1re5 h ALA 201 N 1.71 2.10 -0.02 0.00 0.00 -1.89 0.02 119.26 121.18 1re5 h ALA 201 Ca 0.24 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1re5 h ALA 201 Cb 0.38 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1re5 h ALA 201 CO -0.06 -0.48 -0.05 1.28 0.00 0.00 0.00 179.25 179.93 1re5 n LEU 202 N -3.98 1.70 0.00 0.00 4.77 -0.96 -4.97 117.00 113.56 1re5 n LEU 202 Ca 0.05 -0.56 0.00 0.00 -0.03 0.00 0.00 56.01 55.48 1re5 n LEU 202 Cb 0.47 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 1re5 n LEU 202 CO 0.31 0.29 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 1re5 n GLY 203 N 1.24 3.04 0.00 -0.72 0.00 -0.01 -1.73 105.19 107.01 1re5 n GLY 203 Ca 0.17 -0.20 0.11 0.00 0.00 0.00 0.00 46.02 46.10 1re5 n GLY 203 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1re5 n SER 204 N 2.39 0.00 -0.57 1.61 3.41 -1.26 -2.86 113.62 116.35 1re5 n SER 204 Ca 0.00 0.32 0.07 0.00 -0.26 0.00 0.00 58.87 59.00 1re5 n SER 204 Cb 0.00 -0.43 0.24 0.00 -0.26 0.00 0.00 64.21 63.76 1re5 n SER 204 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1re5 n LYS 205 N -1.43 1.72 0.26 4.33 4.76 -0.70 -4.48 118.16 122.62 1re5 n LYS 205 Ca 0.07 -1.11 -0.12 0.00 -2.87 0.00 0.00 58.31 54.29 1re5 n LYS 205 Cb 0.24 -1.30 -0.06 0.00 -1.84 0.00 0.00 35.03 32.07 1re5 n LYS 205 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1re5 h ALA 206 N 3.76 -1.13 -0.82 7.82 0.00 -1.59 -1.37 119.26 125.92 1re5 h ALA 206 Ca 0.00 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1re5 h ALA 206 Cb 0.44 0.43 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 1re5 h ALA 206 CO 0.00 -1.10 0.50 0.52 0.00 0.00 0.00 179.25 179.17 1re5 h MET 207 N -0.74 1.11 -0.53 0.00 2.86 -1.87 -0.34 114.93 115.42 1re5 h MET 207 Ca -0.06 -0.10 0.00 0.00 -2.06 0.00 0.00 59.70 57.48 1re5 h MET 207 Cb 0.60 -0.23 -0.03 0.00 0.06 0.00 0.00 31.60 32.00 1re5 h MET 207 CO 0.06 0.78 0.34 -1.35 1.06 0.00 0.00 176.91 177.79 1re5 h PRO 208 N 1.13 0.72 -0.39 -0.22 0.11 -1.82 -0.73 132.00 130.80 1re5 h PRO 208 Ca 0.30 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 66.25 1re5 h PRO 208 Cb -0.05 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 30.89 1re5 h PRO 208 CO -0.06 0.50 -0.18 0.28 -0.21 0.00 0.00 178.00 178.33 1re5 h VAL 209 N 0.72 1.26 -0.13 3.15 2.07 -0.96 -2.05 116.25 120.31 1re5 h VAL 209 Ca 0.19 -1.26 -0.00 0.00 0.82 0.00 0.00 66.70 66.45 1re5 h VAL 209 Cb -0.04 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1re5 h VAL 209 CO -0.04 0.42 0.07 0.00 0.02 0.00 0.00 177.57 178.04 1re5 h ALA 210 N 1.15 0.17 -0.47 1.67 0.00 -0.57 0.75 119.26 121.95 1re5 h ALA 210 Ca 0.10 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1re5 h ALA 210 Cb 0.66 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1re5 h ALA 210 CO 0.05 -0.29 0.01 0.93 0.00 0.00 0.00 179.25 179.94 1re5 h GLU 211 N 0.10 0.82 -0.95 0.00 5.08 -1.11 -0.79 114.58 117.74 1re5 h GLU 211 Ca 0.05 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 1re5 h GLU 211 Cb 0.08 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.21 1re5 h GLU 211 CO -0.01 0.87 0.61 0.00 -1.00 0.00 0.00 179.01 179.48 1re5 h ALA 212 N 0.92 1.21 -0.34 3.43 0.00 -1.23 -1.35 119.26 121.90 1re5 h ALA 212 Ca 0.13 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1re5 h ALA 212 Cb 0.49 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1re5 h ALA 212 CO 0.02 0.62 0.04 1.25 0.00 0.00 0.00 179.25 181.19 1re5 h LEU 213 N 1.30 0.56 0.38 0.00 5.85 -0.45 -0.84 115.31 122.10 1re5 h LEU 213 Ca 0.35 -0.27 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 1re5 h LEU 213 Cb -0.12 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 40.77 1re5 h LEU 213 CO -0.07 0.69 -0.19 0.00 -0.34 0.00 0.00 178.44 178.53 1re5 h ALA 214 N 0.89 -0.52 -0.69 1.25 0.00 -0.84 -2.29 119.26 117.06 1re5 h ALA 214 Ca 0.10 -0.11 0.12 0.00 0.00 0.00 0.00 54.91 55.02 1re5 h ALA 214 Cb 0.38 0.21 -0.08 0.00 0.00 0.00 0.00 17.79 18.29 1re5 h ALA 214 CO 0.01 -0.79 0.26 1.49 0.00 0.00 0.00 179.25 180.22 1re5 h GLU 215 N -0.52 0.42 -0.74 0.00 4.81 -1.22 0.99 114.58 118.31 1re5 h GLU 215 Ca -0.05 -0.03 0.10 0.00 -0.13 0.00 0.00 59.36 59.26 1re5 h GLU 215 Cb 0.41 -0.09 -0.08 0.00 0.63 0.00 0.00 28.75 29.62 1re5 h GLU 215 CO 0.08 0.28 0.37 1.96 -0.73 0.00 0.00 179.01 180.96 1re5 h GLN 216 N 0.43 0.60 -0.19 1.92 1.08 -0.80 -1.42 115.11 116.73 1re5 h GLN 216 Ca 0.36 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.53 1re5 h GLN 216 Cb 0.50 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.80 1re5 h GLN 216 CO -0.36 0.39 0.00 1.28 -0.95 0.00 0.00 178.83 179.20 1re5 n LEU 217 N -4.86 2.17 -3.67 1.46 4.77 -0.63 -4.94 117.00 111.30 1re5 n LEU 217 Ca 0.12 -0.88 -0.25 0.00 -0.03 0.00 0.00 56.01 54.98 1re5 n LEU 217 Cb 0.30 -0.12 0.06 0.00 -2.33 0.00 0.00 43.42 41.34 1re5 n LEU 217 CO 0.24 0.44 0.18 0.29 -1.33 0.00 0.00 177.39 177.21 1re5 n LYS 218 N 0.66 -6.99 -4.39 3.23 5.02 0.21 -5.00 118.16 110.90 1re5 n LYS 218 Ca 0.17 0.76 -0.25 0.00 -2.02 0.00 0.00 58.31 56.97 1re5 n LYS 218 Cb 0.42 -5.74 -0.11 0.00 -0.02 0.00 0.00 35.03 29.58 1re5 n LYS 218 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1re5 s LEU 219 N -7.15 2.44 0.51 -0.35 1.43 -0.42 -5.01 118.68 110.13 1re5 s LEU 219 Ca 0.50 -0.87 -0.17 0.00 -1.03 0.00 0.00 54.13 52.56 1re5 s LEU 219 Cb -0.23 -1.04 -0.08 0.00 0.03 0.00 0.00 46.19 44.87 1re5 s LEU 219 CO 0.76 0.06 0.99 -0.89 0.23 0.00 0.00 176.35 177.50 1re5 s THR 220 N -1.85 4.41 -0.23 5.49 2.01 -0.93 -4.13 115.64 120.41 1re5 s THR 220 Ca 0.19 1.22 -0.14 0.00 0.31 0.00 0.00 61.69 63.27 1re5 s THR 220 Cb -0.07 -3.66 -0.04 0.00 0.01 0.00 0.00 72.50 68.74 1re5 s THR 220 CO 0.09 -0.60 0.33 -0.22 -0.69 0.00 0.00 174.62 173.52 1re5 s LEU 221 N -3.97 4.11 0.87 4.42 2.96 -1.26 -0.83 118.68 124.98 1re5 s LEU 221 Ca 0.60 0.35 -0.12 0.00 -0.22 0.00 0.00 54.13 54.74 1re5 s LEU 221 Cb -0.11 -2.38 0.11 0.00 0.50 0.00 0.00 46.19 44.31 1re5 s LEU 221 CO 0.29 -0.07 1.11 -2.16 -1.32 0.00 0.00 176.35 174.20 1re5 s PRO 222 N 1.45 1.51 0.49 0.98 0.04 -1.26 -4.93 135.00 133.27 1re5 s PRO 222 Ca 0.15 0.50 0.15 0.00 0.04 0.00 0.00 61.00 61.83 1re5 s PRO 222 Cb -0.15 -1.86 1.16 0.00 0.04 0.00 0.00 34.50 33.69 1re5 s PRO 222 CO 0.08 -1.99 2.10 1.05 0.04 0.00 0.00 177.00 178.28 1re5 h GLU 223 N -1.35 0.17 -2.78 4.56 9.09 -1.97 -3.44 114.58 118.85 1re5 h GLU 223 Ca -0.49 -0.01 0.05 0.00 0.05 0.00 0.00 59.36 58.96 1re5 h GLU 223 Cb 1.30 -0.04 -0.10 0.00 -1.65 0.00 0.00 28.75 28.26 1re5 h GLU 223 CO 0.60 0.11 0.31 1.14 0.05 0.00 0.00 179.01 181.21 1re5 s GLN 224 N -5.20 1.32 0.90 1.06 -2.07 -1.26 -5.16 119.66 109.25 1re5 s GLN 224 Ca -0.06 -0.60 -0.10 0.00 -1.82 0.00 0.00 55.36 52.78 1re5 s GLN 224 Cb 0.18 0.53 0.14 0.00 -1.09 0.00 0.00 33.01 32.77 1re5 s GLN 224 CO 0.70 -0.59 1.13 -2.14 -1.32 0.00 0.00 175.29 173.07 1re5 s PRO 225 N -3.61 1.11 -0.34 9.60 0.02 -1.26 -4.99 135.00 135.53 1re5 s PRO 225 Ca 0.06 1.46 0.16 0.00 0.02 0.00 0.00 61.00 62.70 1re5 s PRO 225 Cb -0.02 -1.74 0.46 0.00 0.02 0.00 0.00 34.50 33.21 1re5 s PRO 225 CO -0.05 -2.54 1.01 -2.67 -0.33 0.00 0.00 177.00 172.42 1re5 n TRP 226 N -4.16 1.65 -0.26 6.54 4.27 -1.26 -4.91 117.44 119.31 1re5 n TRP 226 Ca 0.11 -2.77 0.08 0.00 -3.89 0.00 0.00 57.50 51.03 1re5 n TRP 226 Cb 0.52 -0.30 0.33 0.00 -1.36 0.00 0.00 31.31 30.50 1re5 n TRP 226 CO 0.00 0.00 0.00 0.45 -2.29 0.00 0.00 177.69 175.85 1re5 h HIS 227 N 2.85 0.88 0.00 -2.67 3.86 -1.94 -3.06 115.15 115.07 1re5 h HIS 227 Ca -0.01 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 1re5 h HIS 227 Cb 1.15 -0.28 0.00 0.00 1.06 0.00 0.00 27.41 29.34 1re5 h HIS 227 CO 0.57 0.41 -0.01 0.25 0.86 0.00 0.00 177.93 180.01 1re5 n THR 228 N -4.52 1.47 -3.85 2.45 -2.24 -1.26 -4.85 114.28 101.47 1re5 n THR 228 Ca 0.14 -1.68 -0.34 0.00 -2.27 0.00 0.00 64.05 59.90 1re5 n THR 228 Cb 0.32 0.10 -0.12 0.00 -2.10 0.00 0.00 70.33 68.52 1re5 n THR 228 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1re5 s GLN 229 N -2.02 1.93 -0.02 -0.78 -1.52 -1.16 -4.52 119.66 111.58 1re5 s GLN 229 Ca 0.18 -2.01 0.22 0.00 -1.95 0.00 0.00 55.36 51.79 1re5 s GLN 229 Cb 0.16 -3.47 0.65 0.00 -0.22 0.00 0.00 33.01 30.12 1re5 s GLN 229 CO 0.02 -1.05 1.55 0.54 -0.25 0.00 0.00 175.29 176.09 1re5 n ARG 230 N 4.20 2.82 -0.21 2.91 5.12 -1.26 -4.60 116.66 125.65 1re5 n ARG 230 Ca 0.02 -2.64 0.17 0.00 -1.93 0.00 0.00 57.85 53.47 1re5 n ARG 230 Cb 0.40 -1.61 0.51 0.00 -1.16 0.00 0.00 32.46 30.60 1re5 n ARG 230 CO 0.00 0.00 0.00 0.38 -1.93 0.00 0.00 177.63 176.08 1re5 h ASP 231 N 4.21 0.40 -0.23 0.55 3.04 -1.96 -1.67 116.42 120.77 1re5 h ASP 231 Ca 0.00 0.03 0.02 0.00 -3.24 0.00 0.00 57.03 53.84 1re5 h ASP 231 Cb 1.03 -0.05 -0.02 0.00 -1.04 0.00 0.00 39.33 39.26 1re5 h ASP 231 CO 0.03 0.19 0.10 0.03 -2.04 0.00 0.00 179.24 177.55 1re5 h ARG 232 N 0.42 0.22 -0.39 4.15 3.08 -1.94 0.71 114.38 120.63 1re5 h ARG 232 Ca 0.42 -0.01 -0.10 0.00 0.07 0.00 0.00 59.98 60.36 1re5 h ARG 232 Cb 1.02 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.01 1re5 h ARG 232 CO -0.15 0.14 -0.14 -0.07 -1.07 0.00 0.00 179.97 178.68 1re5 h LEU 233 N 0.22 0.79 -1.04 3.04 3.38 -1.68 -2.85 115.31 117.18 1re5 h LEU 233 Ca 0.10 -0.38 -0.06 0.00 0.09 0.00 0.00 57.88 57.62 1re5 h LEU 233 Cb 0.04 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 1re5 h LEU 233 CO -0.08 1.00 0.01 0.58 0.09 0.00 0.00 178.44 180.04 1re5 h VAL 234 N 0.58 1.23 0.03 1.22 2.07 -1.21 -2.15 116.25 118.02 1re5 h VAL 234 Ca 0.09 -0.91 -0.00 0.00 0.82 0.00 0.00 66.70 66.70 1re5 h VAL 234 Cb 0.67 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 1re5 h VAL 234 CO 0.05 0.32 -0.02 -0.08 0.02 0.00 0.00 177.57 177.86 1re5 h GLU 235 N 0.66 -0.04 -0.46 1.57 4.81 -0.77 0.46 114.58 120.81 1re5 h GLU 235 Ca 0.13 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.44 1re5 h GLU 235 Cb 0.39 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.72 1re5 h GLU 235 CO 0.01 0.02 0.11 0.35 -0.73 0.00 0.00 179.01 178.78 1re5 h PHE 236 N -0.10 0.18 -0.72 0.92 3.57 -1.26 -0.46 116.94 119.08 1re5 h PHE 236 Ca -0.00 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 1re5 h PHE 236 Cb 0.08 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.78 1re5 h PHE 236 CO -0.06 0.03 0.43 0.00 -2.23 0.00 0.00 178.31 176.47 1re5 h ALA 237 N 1.34 1.40 -0.48 2.41 0.00 -1.13 -2.11 119.26 120.70 1re5 h ALA 237 Ca 0.23 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 1re5 h ALA 237 Cb 0.28 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1re5 h ALA 237 CO -0.28 0.51 0.03 1.03 0.00 0.00 0.00 179.25 180.54 1re5 h SER 238 N 0.99 0.74 -0.24 0.00 0.87 0.70 -0.06 113.55 116.54 1re5 h SER 238 Ca 0.26 -0.16 -0.16 0.00 -1.23 0.00 0.00 61.79 60.49 1re5 h SER 238 Cb -0.03 -0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 61.73 1re5 h SER 238 CO -0.05 0.79 -0.46 0.58 -0.53 0.00 0.00 176.83 177.16 1re5 h VAL 239 N 0.73 1.28 -0.19 2.23 2.07 -0.73 -1.62 116.25 120.02 1re5 h VAL 239 Ca 0.15 -1.64 -0.02 0.00 0.82 0.00 0.00 66.70 66.01 1re5 h VAL 239 Cb 0.40 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 1re5 h VAL 239 CO 0.01 0.54 0.04 -0.07 0.02 0.00 0.00 177.57 178.11 1re5 h LEU 240 N 0.65 0.24 -0.54 2.57 4.07 -1.07 -0.73 115.31 120.50 1re5 h LEU 240 Ca 0.04 -0.02 -0.05 0.00 0.08 0.00 0.00 57.88 57.92 1re5 h LEU 240 Cb 1.04 -0.06 -0.02 0.00 1.08 0.00 0.00 40.66 42.69 1re5 h LEU 240 CO 0.10 0.26 0.12 1.23 -1.08 0.00 0.00 178.44 179.07 1re5 h GLY 241 N 0.46 0.94 1.00 0.83 0.00 -0.24 -0.70 103.07 105.35 1re5 h GLY 241 Ca 0.07 -0.59 -0.01 0.00 0.00 0.00 0.00 47.33 46.79 1re5 h GLY 241 CO -0.00 0.55 0.40 1.41 0.00 0.00 0.00 176.54 178.90 1re5 h LEU 242 N 0.76 0.84 -0.25 3.11 4.07 -0.39 -1.15 115.31 122.31 1re5 h LEU 242 Ca 0.17 -0.08 -0.00 0.00 0.08 0.00 0.00 57.88 58.05 1re5 h LEU 242 Cb 0.35 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 41.87 1re5 h LEU 242 CO 0.00 0.67 0.15 0.58 -1.08 0.00 0.00 178.44 178.77 1re5 h VAL 243 N 0.94 1.09 -0.81 1.22 2.07 -0.67 -1.17 116.25 118.91 1re5 h VAL 243 Ca 0.24 -0.21 0.03 0.00 0.82 0.00 0.00 66.70 67.58 1re5 h VAL 243 Cb 0.00 0.78 -0.05 0.00 -1.52 0.00 0.00 31.29 30.51 1re5 h VAL 243 CO -0.04 0.09 0.52 0.00 0.02 0.00 0.00 177.57 178.16 1re5 h ALA 244 N 1.06 1.06 -0.37 1.67 0.00 -0.89 -1.41 119.26 120.37 1re5 h ALA 244 Ca 0.09 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1re5 h ALA 244 Cb 0.01 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1re5 h ALA 244 CO -0.02 0.35 0.19 0.78 0.00 0.00 0.00 179.25 180.55 1re5 h GLY 245 N 1.02 0.57 0.86 0.00 0.00 -0.76 0.25 103.07 105.01 1re5 h GLY 245 Ca 0.32 -0.28 -0.04 0.00 0.00 0.00 0.00 47.33 47.33 1re5 h GLY 245 CO -0.11 0.26 0.01 1.76 0.00 0.00 0.00 176.54 178.47 1re5 h SER 246 N 0.47 0.43 0.25 0.19 0.02 -0.97 -1.29 113.55 112.66 1re5 h SER 246 Ca 0.13 -0.29 -0.03 0.00 -0.84 0.00 0.00 61.79 60.76 1re5 h SER 246 Cb 0.10 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.52 1re5 h SER 246 CO -0.02 0.62 -0.13 -0.07 -1.14 0.00 0.00 176.83 176.09 1re5 h LEU 247 N 0.23 0.00 -0.80 5.07 3.38 -1.17 -1.14 115.31 120.89 1re5 h LEU 247 Ca 0.07 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.94 1re5 h LEU 247 Cb 0.39 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1re5 h LEU 247 CO 0.01 0.13 -0.24 1.23 0.09 0.00 0.00 178.44 179.66 1re5 h GLY 248 N 0.64 0.69 0.93 0.83 0.00 0.34 -0.24 103.07 106.26 1re5 h GLY 248 Ca -0.00 -0.58 -0.07 0.00 0.00 0.00 0.00 47.33 46.68 1re5 h GLY 248 CO 0.02 0.53 -0.06 1.70 0.00 0.00 0.00 176.54 178.73 1re5 h LYS 249 N 0.56 0.67 -0.15 4.80 3.11 -0.13 -1.59 116.57 123.84 1re5 h LYS 249 Ca 0.08 -0.24 0.00 0.00 -2.81 0.00 0.00 60.65 57.68 1re5 h LYS 249 Cb 0.71 -0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 31.88 1re5 h LYS 249 CO 0.05 0.81 0.09 0.35 -2.81 0.00 0.00 179.45 177.95 1re5 h PHE 250 N 0.47 0.17 -0.86 1.91 3.57 -1.13 -1.41 116.94 119.66 1re5 h PHE 250 Ca 0.09 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 1re5 h PHE 250 Cb 0.55 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.19 1re5 h PHE 250 CO 0.05 0.11 0.51 0.78 -2.23 0.00 0.00 178.31 177.53 1re5 h GLY 251 N 0.19 1.25 0.88 2.40 0.00 -0.96 -1.63 103.07 105.21 1re5 h GLY 251 Ca 0.05 -0.53 -0.01 0.00 0.00 0.00 0.00 47.33 46.85 1re5 h GLY 251 CO -0.02 0.51 0.07 -0.09 0.00 0.00 0.00 176.54 177.01 1re5 h ARG 252 N 1.19 0.28 -0.82 4.80 9.65 -0.93 -2.11 114.38 126.44 1re5 h ARG 252 Ca 0.31 -0.05 0.05 0.00 -1.10 0.00 0.00 59.98 59.18 1re5 h ARG 252 Cb -0.04 -0.04 -0.05 0.00 -1.39 0.00 0.00 29.97 28.44 1re5 h ARG 252 CO -0.06 0.36 0.51 -0.44 2.80 0.00 0.00 179.97 183.14 1re5 h ASP 253 N 0.14 0.83 0.09 -3.80 3.32 -0.93 -1.23 116.42 114.84 1re5 h ASP 253 Ca 0.06 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.11 1re5 h ASP 253 Cb 0.18 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.56 1re5 h ASP 253 CO -0.00 0.55 -0.04 0.40 -1.72 0.00 0.00 179.24 178.43 1re5 h ILE 254 N 0.97 0.97 -0.78 0.35 1.08 -1.17 -0.67 117.51 118.27 1re5 h ILE 254 Ca 0.34 -0.21 0.09 0.00 -0.39 0.00 0.00 64.86 64.70 1re5 h ILE 254 Cb 0.09 1.11 -0.05 0.00 -3.07 0.00 0.00 36.82 34.89 1re5 h ILE 254 CO -0.14 0.05 0.51 0.77 -0.69 0.00 0.00 178.15 178.65 1re5 h SER 255 N -0.21 0.64 0.73 1.72 4.64 -0.97 0.21 113.55 120.30 1re5 h SER 255 Ca -0.01 0.02 -0.19 0.00 -0.47 0.00 0.00 61.79 61.14 1re5 h SER 255 Cb 0.17 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 62.13 1re5 h SER 255 CO 0.02 0.38 -0.87 -0.07 -0.87 0.00 0.00 176.83 175.42 1re5 h LEU 256 N 0.71 0.12 -0.60 5.97 3.38 -0.99 -2.99 115.31 120.90 1re5 h LEU 256 Ca 0.36 -0.10 -0.12 0.00 0.09 0.00 0.00 57.88 58.11 1re5 h LEU 256 Cb 0.44 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1re5 h LEU 256 CO -0.13 0.93 -0.56 -0.07 0.09 0.00 0.00 178.44 178.70 1re5 h LEU 257 N 0.05 0.00 -0.16 1.67 3.38 0.28 -2.93 115.31 117.60 1re5 h LEU 257 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1re5 h LEU 257 Cb 1.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.26 1re5 h LEU 257 CO 0.12 0.56 -0.04 0.23 0.09 0.00 0.00 178.44 179.40 1re5 n MET 258 N -3.53 0.79 -1.62 1.13 2.81 0.59 -1.75 117.12 115.54 1re5 n MET 258 Ca -0.00 -0.16 -0.40 0.00 -1.81 0.00 0.00 57.70 55.33 1re5 n MET 258 Cb 0.64 -1.50 0.03 0.00 -0.71 0.00 0.00 33.22 31.68 1re5 n MET 258 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1re5 n GLN 259 N -0.96 1.22 -0.23 0.03 6.02 -1.11 -4.53 117.38 117.83 1re5 n GLN 259 Ca 0.18 0.45 -0.01 0.00 -0.01 0.00 0.00 57.00 57.61 1re5 n GLN 259 Cb 0.22 -2.11 0.11 0.00 1.02 0.00 0.00 30.24 29.48 1re5 n GLN 259 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 1re5 h THR 260 N 1.18 0.91 0.00 5.09 2.02 -1.91 0.49 112.91 120.69 1re5 h THR 260 Ca -0.46 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.51 1re5 h THR 260 Cb 1.34 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 68.00 1re5 h THR 260 CO 0.55 0.11 0.00 -1.84 0.37 0.00 0.00 175.52 174.71 1re5 n GLU 261 N -4.84 0.81 0.03 6.66 0.00 -1.26 -3.93 120.64 118.12 1re5 n GLU 261 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.25 1re5 n GLU 261 Cb 0.21 -1.32 0.00 0.00 0.00 0.00 0.00 31.44 30.33 1re5 n GLU 261 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1re5 n ALA 262 N -0.82 3.00 -4.22 -1.84 0.00 -0.13 -5.05 120.51 111.46 1re5 n ALA 262 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.26 1re5 n ALA 262 Cb 0.06 0.34 -0.08 0.00 0.00 0.00 0.00 19.45 19.78 1re5 n ALA 262 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1re5 n GLY 263 N 3.27 -0.18 0.09 0.00 0.00 0.15 -4.87 105.19 103.67 1re5 n GLY 263 Ca 0.00 0.18 -0.11 0.00 0.00 0.00 0.00 46.02 46.09 1re5 n GLY 263 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1re5 n GLU 264 N -4.56 0.96 -4.15 1.61 1.02 -0.72 -4.76 120.64 110.05 1re5 n GLU 264 Ca -0.32 0.04 -0.15 0.00 -0.02 0.00 0.00 57.16 56.71 1re5 n GLU 264 Cb 0.69 -1.44 -0.13 0.00 -0.02 0.00 0.00 31.44 30.54 1re5 n GLU 264 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1re5 s VAL 265 N -2.42 0.54 0.05 2.62 1.01 -1.23 -1.08 120.40 119.89 1re5 s VAL 265 Ca -0.16 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 61.19 1re5 s VAL 265 Cb 0.06 -0.52 -0.03 0.00 0.00 0.00 0.00 36.38 35.89 1re5 s VAL 265 CO 0.62 -0.09 -0.07 -0.36 0.00 0.00 0.00 175.10 175.20 1re5 s PHE 266 N -0.70 0.69 0.58 5.22 0.08 -0.25 -3.25 117.98 120.34 1re5 s PHE 266 Ca -0.03 -0.63 -0.16 0.00 0.12 0.00 0.00 56.93 56.23 1re5 s PHE 266 Cb -0.06 -0.41 -0.04 0.00 -0.57 0.00 0.00 43.02 41.94 1re5 s PHE 266 CO 0.00 -0.12 1.05 -1.21 -0.10 0.00 0.00 175.22 174.83 1re5 s GLU 267 N -2.24 3.41 0.78 0.44 2.02 -1.26 -0.91 118.70 120.95 1re5 s GLU 267 Ca -0.04 1.16 -0.15 0.00 0.02 0.00 0.00 54.97 55.96 1re5 s GLU 267 Cb -0.05 -2.05 0.02 0.00 0.10 0.00 0.00 34.13 32.15 1re5 s GLU 267 CO -0.01 -0.73 0.84 -2.30 0.02 0.00 0.00 175.26 173.07 1re5 n PRO 268 N -1.98 0.22 -2.56 0.39 -0.02 -1.25 -4.68 135.00 125.13 1re5 n PRO 268 Ca 0.08 0.13 -0.39 0.00 -2.02 0.00 0.00 63.50 61.30 1re5 n PRO 268 Cb 0.53 -2.13 -0.05 0.00 -0.02 0.00 0.00 33.50 31.84 1re5 n PRO 268 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1re5 s SER 269 N -1.80 7.28 -0.31 2.55 0.01 -1.26 -4.84 113.70 115.32 1re5 s SER 269 Ca 0.69 2.14 -0.14 0.00 1.31 0.00 0.00 55.95 59.95 1re5 s SER 269 Cb -0.31 -2.61 -0.08 0.00 0.21 0.00 0.00 66.02 63.23 1re5 s SER 269 CO 0.55 -0.13 0.94 0.00 0.41 0.00 0.00 173.24 175.01 1re5 n ALA 270 N 1.03 0.10 0.00 1.44 0.00 -1.26 -5.24 120.51 116.57 1re5 n ALA 270 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1re5 n ALA 270 Cb 0.46 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 19.08 1re5 n ALA 270 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1re5 n PRO 271 N 3.06 0.00 0.00 0.00 -0.02 -1.26 -5.31 135.00 131.47 1re5 n PRO 271 Ca 0.23 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 1re5 n PRO 271 Cb 0.00 -0.70 0.00 0.00 -0.02 0.00 0.00 33.50 32.78 1re5 n PRO 271 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 1re5 n LYS 282 N 0.19 0.00 -3.43 -0.52 0.00 -1.26 -5.30 118.16 107.84 1re5 n LYS 282 Ca 0.00 0.00 -0.44 0.00 -0.00 0.00 0.00 58.31 57.87 1re5 n LYS 282 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 35.03 34.96 1re5 n LYS 282 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 1re5 s ARG 283 N 0.00 2.83 0.11 -1.58 6.06 -1.26 -5.06 118.95 120.04 1re5 s ARG 283 Ca 0.00 -1.57 -0.22 0.00 -2.50 0.00 0.00 55.73 51.45 1re5 s ARG 283 Cb 0.00 -4.09 -0.07 0.00 0.06 0.00 0.00 34.95 30.84 1re5 s ARG 283 CO 0.00 -1.15 0.65 -0.80 -2.50 0.00 0.00 175.30 171.50 1re5 s ASN 284 N 2.88 7.19 -1.27 -2.12 0.02 -1.26 -4.99 114.94 115.39 1re5 s ASN 284 Ca 0.04 1.41 -0.17 0.00 -1.02 0.00 0.00 52.86 53.12 1re5 s ASN 284 Cb -0.26 -2.41 0.10 0.00 0.02 0.00 0.00 41.25 38.69 1re5 s ASN 284 CO 0.03 0.25 1.64 -2.16 0.02 0.00 0.00 177.10 176.89 1re5 s PRO 285 N -1.12 4.01 0.45 -0.60 0.04 -1.26 -4.75 135.00 131.77 1re5 s PRO 285 Ca 0.31 -2.16 0.24 0.00 0.04 0.00 0.00 61.00 59.44 1re5 s PRO 285 Cb -0.21 -5.39 1.02 0.00 0.04 0.00 0.00 34.50 29.95 1re5 s PRO 285 CO 0.22 -2.11 1.87 -0.39 0.04 0.00 0.00 177.00 176.63 1re5 h VAL 286 N 5.32 0.58 0.02 -0.36 -1.51 -1.98 -2.70 116.25 115.62 1re5 h VAL 286 Ca 0.41 -1.03 -0.11 0.00 -1.23 0.00 0.00 66.70 64.74 1re5 h VAL 286 Cb 0.87 1.69 0.01 0.00 -2.13 0.00 0.00 31.29 31.73 1re5 h VAL 286 CO 1.40 0.21 -0.43 1.23 -1.23 0.00 0.00 177.57 178.75 1re5 h GLY 287 N 1.81 0.29 1.57 5.19 0.00 -1.95 -3.26 103.07 106.72 1re5 h GLY 287 Ca -0.00 -0.54 0.03 0.00 0.00 0.00 0.00 47.33 46.82 1re5 h GLY 287 CO 0.03 0.48 0.22 0.00 0.00 0.00 0.00 176.54 177.26 1re5 h ALA 288 N 0.24 1.93 -0.96 3.60 0.00 -1.86 -0.85 119.26 121.36 1re5 h ALA 288 Ca -0.06 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.89 1re5 h ALA 288 Cb 1.19 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.84 1re5 h ALA 288 CO 0.08 0.03 0.62 0.00 0.00 0.00 0.00 179.25 179.98 1re5 h ALA 289 N 1.82 1.30 -0.55 0.00 0.00 -1.52 0.08 119.26 120.39 1re5 h ALA 289 Ca 0.13 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 1re5 h ALA 289 Cb 0.16 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1re5 h ALA 289 CO -0.03 0.43 0.05 0.28 0.00 0.00 0.00 179.25 179.98 1re5 h VAL 290 N 1.15 1.26 -0.52 0.00 2.07 -1.22 0.12 116.25 119.10 1re5 h VAL 290 Ca 0.40 -1.03 -0.09 0.00 0.82 0.00 0.00 66.70 66.80 1re5 h VAL 290 Cb 0.11 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 1re5 h VAL 290 CO -0.15 0.37 -0.03 -0.07 0.02 0.00 0.00 177.57 177.71 1re5 h LEU 291 N 0.82 0.93 -0.46 2.57 3.38 -1.16 -1.32 115.31 120.07 1re5 h LEU 291 Ca 0.16 -0.32 -0.16 0.00 0.09 0.00 0.00 57.88 57.65 1re5 h LEU 291 Cb 0.47 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1re5 h LEU 291 CO 0.02 1.03 -0.46 0.40 0.09 0.00 0.00 178.44 179.52 1re5 h ILE 292 N 0.81 1.29 -0.23 1.22 2.04 -0.88 -2.21 117.51 119.55 1re5 h ILE 292 Ca 0.14 -1.64 0.01 0.00 1.00 0.00 0.00 64.86 64.37 1re5 h ILE 292 Cb 0.57 1.55 -0.02 0.00 -0.74 0.00 0.00 36.82 38.17 1re5 h ILE 292 CO 0.03 0.53 0.12 1.23 0.00 0.00 0.00 178.15 180.07 1re5 h GLY 293 N 0.88 0.31 0.99 5.37 0.00 -0.50 -1.82 103.07 108.30 1re5 h GLY 293 Ca 0.04 -0.09 -0.00 0.00 0.00 0.00 0.00 47.33 47.28 1re5 h GLY 293 CO 0.10 0.08 0.27 0.00 0.00 0.00 0.00 176.54 176.99 1re5 h ALA 294 N 1.11 0.58 0.00 3.60 0.00 -1.17 0.13 119.26 123.51 1re5 h ALA 294 Ca 0.09 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1re5 h ALA 294 Cb 0.02 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1re5 h ALA 294 CO -0.06 0.07 0.00 0.00 0.00 0.00 0.00 179.25 179.26 1re5 n ALA 295 N -2.25 1.33 -0.09 0.00 0.00 -0.84 -1.48 120.51 117.19 1re5 n ALA 295 Ca 0.01 0.11 -0.15 0.00 0.00 0.00 0.00 53.44 53.41 1re5 n ALA 295 Cb 0.06 -1.30 -0.14 0.00 0.00 0.00 0.00 19.45 18.07 1re5 n ALA 295 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1re5 n THR 296 N -2.08 1.52 0.12 0.00 -1.04 -0.51 -4.60 114.28 107.69 1re5 n THR 296 Ca 0.01 -0.71 -0.22 0.00 -2.04 0.00 0.00 64.05 61.09 1re5 n THR 296 Cb 0.12 -1.09 -0.15 0.00 -1.82 0.00 0.00 70.33 67.38 1re5 n THR 296 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 1re5 h ARG 297 N 0.01 0.44 -0.79 -2.82 2.47 -0.62 -3.40 114.38 109.68 1re5 h ARG 297 Ca -0.51 -0.75 -0.04 0.00 -1.26 0.00 0.00 59.98 57.42 1re5 h ARG 297 Cb 2.05 0.28 -0.04 0.00 -1.65 0.00 0.00 29.97 30.62 1re5 h ARG 297 CO -0.00 1.35 0.33 0.28 0.56 0.00 0.00 179.97 182.50 1re5 h VAL 298 N 0.12 1.26 -0.84 2.04 2.07 -1.51 -3.10 116.25 116.28 1re5 h VAL 298 Ca -0.23 -0.78 0.12 0.00 0.82 0.00 0.00 66.70 66.63 1re5 h VAL 298 Cb 2.11 0.29 -0.08 0.00 -1.52 0.00 0.00 31.29 32.08 1re5 h VAL 298 CO 0.24 0.32 0.46 -0.65 0.02 0.00 0.00 177.57 177.96 1re5 h PRO 299 N 1.14 0.70 -0.44 1.57 0.11 -1.81 0.11 132.00 133.37 1re5 h PRO 299 Ca 0.27 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.30 1re5 h PRO 299 Cb 0.18 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.12 1re5 h PRO 299 CO -0.03 0.46 0.15 0.78 -0.21 0.00 0.00 178.00 179.15 1re5 h GLY 300 N 0.72 0.74 1.44 -0.55 0.00 -1.80 -1.13 103.07 102.49 1re5 h GLY 300 Ca 0.43 -0.43 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 1re5 h GLY 300 CO -0.30 0.40 0.01 1.41 0.00 0.00 0.00 176.54 178.07 1re5 h LEU 301 N 0.58 0.66 -0.36 3.11 3.38 -1.28 -2.72 115.31 118.67 1re5 h LEU 301 Ca 0.14 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 1re5 h LEU 301 Cb 0.25 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1re5 h LEU 301 CO -0.01 0.72 -0.14 -0.07 0.09 0.00 0.00 178.44 179.03 1re5 h LEU 302 N 0.66 0.75 -2.04 1.67 4.07 -0.54 -2.71 115.31 117.16 1re5 h LEU 302 Ca 0.13 -0.39 -0.02 0.00 0.08 0.00 0.00 57.88 57.68 1re5 h LEU 302 Cb 0.39 -0.21 -0.00 0.00 1.08 0.00 0.00 40.66 41.92 1re5 h LEU 302 CO 0.01 0.97 -0.09 0.77 -1.08 0.00 0.00 178.44 179.02 1re5 h SER 303 N 0.52 0.00 -0.27 -0.43 4.64 -1.01 -1.49 113.55 115.51 1re5 h SER 303 Ca 0.08 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.38 1re5 h SER 303 Cb 0.67 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.75 1re5 h SER 303 CO 0.05 0.09 0.09 0.74 -0.87 0.00 0.00 176.83 176.92 1re5 h THR 304 N 0.00 1.20 -0.83 2.95 2.02 -1.18 0.26 112.91 117.33 1re5 h THR 304 Ca -0.00 -0.62 -0.04 0.00 0.77 0.00 0.00 66.41 66.52 1re5 h THR 304 Cb 0.26 1.10 -0.04 0.00 -1.74 0.00 0.00 68.15 67.72 1re5 h THR 304 CO 0.01 0.21 0.37 -0.07 0.37 0.00 0.00 175.52 176.41 1re5 h LEU 305 N 0.28 1.11 -0.20 2.58 3.38 -1.19 -1.52 115.31 119.74 1re5 h LEU 305 Ca 0.09 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1re5 h LEU 305 Cb 0.24 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1re5 h LEU 305 CO -0.00 0.95 0.07 -0.26 0.09 0.00 0.00 178.44 179.29 1re5 h PHE 306 N 1.20 0.33 -0.77 1.13 -1.00 -1.11 -2.97 116.94 113.74 1re5 h PHE 306 Ca 0.28 -0.03 0.19 0.00 2.81 0.00 0.00 57.97 61.22 1re5 h PHE 306 Cb 0.16 -0.09 -0.04 0.00 3.61 0.00 0.00 35.95 39.58 1re5 h PHE 306 CO 0.02 0.40 0.53 0.00 -1.61 0.00 0.00 178.31 177.65 1re5 h ALA 307 N 0.89 2.39 -0.26 2.45 0.00 0.08 -1.81 119.26 123.00 1re5 h ALA 307 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1re5 h ALA 307 Cb 0.22 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1re5 h ALA 307 CO -0.00 -0.61 0.00 0.00 0.00 0.00 0.00 179.25 178.64 1re5 n ALA 308 N -2.59 2.48 -0.04 0.00 0.00 -0.62 -4.40 120.51 115.33 1re5 n ALA 308 Ca 0.15 -0.52 -0.10 0.00 0.00 0.00 0.00 53.44 52.97 1re5 n ALA 308 Cb 0.69 -1.02 0.05 0.00 0.00 0.00 0.00 19.45 19.16 1re5 n ALA 308 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1re5 h MET 309 N 1.86 0.70 -3.59 0.00 2.86 -1.38 -3.36 114.93 112.02 1re5 h MET 309 Ca 0.00 -0.38 -0.49 0.00 -2.06 0.00 0.00 59.70 56.77 1re5 h MET 309 Cb 0.42 0.02 0.02 0.00 0.06 0.00 0.00 31.60 32.12 1re5 h MET 309 CO 0.00 1.00 2.78 -0.35 1.06 0.00 0.00 176.91 181.39 1re5 n PRO 310 N -4.02 2.27 -2.56 -0.22 -0.04 -1.26 -4.75 135.00 124.41 1re5 n PRO 310 Ca -0.02 -1.70 -0.42 0.00 -0.04 0.00 0.00 63.50 61.31 1re5 n PRO 310 Cb 0.55 -2.63 -0.03 0.00 -0.04 0.00 0.00 33.50 31.35 1re5 n PRO 310 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1re5 s GLN 311 N 3.49 4.36 0.24 0.54 -0.21 -1.26 -5.00 119.66 121.83 1re5 s GLN 311 Ca 0.48 1.54 -0.30 0.00 0.02 0.00 0.00 55.36 57.09 1re5 s GLN 311 Cb 0.12 -3.58 -0.10 0.00 1.00 0.00 0.00 33.01 30.46 1re5 s GLN 311 CO -0.01 -0.44 1.36 -1.21 -2.12 0.00 0.00 175.29 172.87 1re5 s GLU 312 N 2.34 4.33 1.71 2.91 8.01 -1.26 -4.87 118.70 131.87 1re5 s GLU 312 Ca 0.52 2.19 0.00 0.00 0.01 0.00 0.00 54.97 57.69 1re5 s GLU 312 Cb -0.21 -3.14 0.00 0.00 -4.31 0.00 0.00 34.13 26.47 1re5 s GLU 312 CO 0.18 -0.31 0.00 0.72 0.01 0.00 0.00 175.26 175.86 1re5 n HIS 313 N 2.17 0.00 0.77 1.61 8.25 -1.26 -2.96 115.22 123.80 1re5 n HIS 313 Ca 0.05 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.64 1re5 n HIS 313 Cb 0.41 0.00 0.32 0.00 1.12 0.00 0.00 29.99 31.85 1re5 n HIS 313 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1re5 n GLU 314 N 14.00 0.16 -3.51 -0.41 4.71 -1.26 -4.65 120.64 129.68 1re5 n GLU 314 Ca 0.00 0.07 0.01 0.00 -0.01 0.00 0.00 57.16 57.23 1re5 n GLU 314 Cb 0.00 -1.62 -0.05 0.00 -1.01 0.00 0.00 31.44 28.75 1re5 n GLU 314 CO 0.00 0.00 0.00 0.50 0.09 0.00 0.00 177.13 177.72 1re5 s ARG 315 N -3.08 0.21 -0.08 3.49 3.52 -1.16 -4.62 118.95 117.24 1re5 s ARG 315 Ca 0.10 0.43 -0.03 0.00 -0.13 0.00 0.00 55.73 56.10 1re5 s ARG 315 Cb 0.15 0.15 -0.04 0.00 -1.56 0.00 0.00 34.95 33.65 1re5 s ARG 315 CO 0.66 -0.06 0.05 0.45 -0.81 0.00 0.00 175.30 175.59 1re5 s SER 316 N 1.66 5.56 -0.12 -2.12 0.15 -1.24 -4.80 113.70 112.78 1re5 s SER 316 Ca -0.06 0.21 -0.06 0.00 0.70 0.00 0.00 55.95 56.75 1re5 s SER 316 Cb -0.03 -1.62 -0.04 0.00 -1.71 0.00 0.00 66.02 62.61 1re5 s SER 316 CO -0.14 0.36 0.09 -1.48 1.20 0.00 0.00 173.24 173.27 1re5 s LEU 317 N -1.09 4.10 0.00 3.45 -0.00 -1.26 -3.90 118.68 119.98 1re5 s LEU 317 Ca 0.16 0.32 0.00 0.00 -0.00 0.00 0.00 54.13 54.61 1re5 s LEU 317 Cb -0.12 -1.99 0.00 0.00 -0.00 0.00 0.00 46.19 44.08 1re5 s LEU 317 CO 0.05 0.36 0.00 0.61 -0.00 0.00 0.00 176.35 177.37 1re5 n GLY 318 N 2.32 2.17 0.25 -3.48 0.00 -1.26 -4.63 105.19 100.56 1re5 n GLY 318 Ca -0.19 -0.42 -0.06 0.00 0.00 0.00 0.00 46.02 45.35 1re5 n GLY 318 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1re5 h LEU 319 N 0.00 0.74 -0.62 0.99 3.38 -1.91 -0.70 115.31 117.19 1re5 h LEU 319 Ca 0.00 -0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.79 1re5 h LEU 319 Cb 0.00 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1re5 h LEU 319 CO 0.00 0.59 -0.10 -0.25 0.09 0.00 0.00 178.44 178.78 1re5 h TRP 320 N 0.82 1.09 -0.34 1.13 7.01 -1.82 -2.74 115.95 121.11 1re5 h TRP 320 Ca 0.22 -0.22 -0.02 0.00 2.11 0.00 0.00 58.89 60.98 1re5 h TRP 320 Cb -0.00 -0.27 -0.02 0.00 -2.10 0.00 0.00 29.16 26.76 1re5 h TRP 320 CO -0.02 1.02 0.12 0.45 -2.79 0.00 0.00 178.44 177.22 1re5 h HIS 321 N 0.88 0.47 0.00 2.65 3.86 -1.69 -2.29 115.15 119.04 1re5 h HIS 321 Ca 0.14 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.33 1re5 h HIS 321 Cb 0.65 -0.15 -0.00 0.00 1.06 0.00 0.00 27.41 28.97 1re5 h HIS 321 CO 0.04 0.39 -0.02 0.00 0.86 0.00 0.00 177.93 179.20 1re5 h ALA 322 N 1.66 1.06 0.02 2.45 0.00 -0.82 -2.84 119.26 120.81 1re5 h ALA 322 Ca 0.12 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.75 1re5 h ALA 322 Cb 0.12 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.92 1re5 h ALA 322 CO -0.01 0.02 -1.06 0.93 0.00 0.00 0.00 179.25 179.13 1re5 h GLU 323 N 0.00 0.60 -0.80 0.00 5.08 -1.49 -3.35 114.58 114.63 1re5 h GLU 323 Ca -0.00 -0.68 0.10 0.00 -1.00 0.00 0.00 59.36 57.78 1re5 h GLU 323 Cb 0.18 0.20 -0.12 0.00 0.50 0.00 0.00 28.75 29.52 1re5 h GLU 323 CO 0.00 1.28 -0.37 0.91 -1.00 0.00 0.00 179.01 179.83 1re5 n TRP 324 N -3.80 -0.12 0.04 4.33 8.01 -1.07 -1.88 117.44 122.95 1re5 n TRP 324 Ca -0.10 0.99 0.11 0.00 -1.31 0.00 0.00 57.50 57.19 1re5 n TRP 324 Cb 0.89 -0.71 -0.11 0.00 -2.01 0.00 0.00 31.31 29.37 1re5 n TRP 324 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.69 177.07 1re5 n GLU 325 N -5.11 0.63 0.09 -0.99 -0.58 -1.26 -4.39 120.64 109.03 1re5 n GLU 325 Ca 0.06 -0.10 -0.13 0.00 -0.42 0.00 0.00 57.16 56.57 1re5 n GLU 325 Cb 0.28 -1.62 -0.08 0.00 -0.57 0.00 0.00 31.44 29.45 1re5 n GLU 325 CO 0.00 0.00 0.00 1.15 -0.48 0.00 0.00 177.13 177.80 1re5 h THR 326 N 0.00 0.96 -0.35 2.62 2.02 -1.51 -2.29 112.91 114.37 1re5 h THR 326 Ca 0.00 -0.47 0.03 0.00 0.77 0.00 0.00 66.41 66.74 1re5 h THR 326 Cb 0.99 1.25 -0.03 0.00 -1.74 0.00 0.00 68.15 68.62 1re5 h THR 326 CO 0.00 0.11 0.16 0.25 0.37 0.00 0.00 175.52 176.41 1re5 h LEU 327 N -0.42 0.23 -1.08 2.58 6.46 -1.68 -2.04 115.31 119.35 1re5 h LEU 327 Ca -0.02 0.02 0.01 0.00 -0.12 0.00 0.00 57.88 57.77 1re5 h LEU 327 Cb 0.34 -0.02 -0.04 0.00 -0.73 0.00 0.00 40.66 40.20 1re5 h LEU 327 CO 0.03 0.17 0.59 -0.65 -0.62 0.00 0.00 178.44 177.97 1re5 h PRO 328 N 0.34 1.21 -0.74 5.25 0.11 -1.76 -1.85 132.00 134.56 1re5 h PRO 328 Ca 0.15 -0.08 0.01 0.00 0.11 0.00 0.00 66.00 66.19 1re5 h PRO 328 Cb 0.07 -0.27 -0.04 0.00 0.11 0.00 0.00 31.00 30.88 1re5 h PRO 328 CO -0.11 0.81 0.48 -0.44 -0.21 0.00 0.00 178.00 178.53 1re5 h ASP 329 N 1.24 0.83 -0.18 -2.05 3.45 -0.79 -1.14 116.42 117.78 1re5 h ASP 329 Ca 0.33 -0.02 0.01 0.00 0.43 0.00 0.00 57.03 57.78 1re5 h ASP 329 Cb -0.12 -0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 38.43 1re5 h ASP 329 CO -0.07 0.60 0.09 0.40 -1.57 0.00 0.00 179.24 178.70 1re5 h ILE 330 N 0.98 1.01 -0.71 0.35 2.04 -0.80 0.73 117.51 121.11 1re5 h ILE 330 Ca 0.27 -0.07 0.02 0.00 1.00 0.00 0.00 64.86 66.08 1re5 h ILE 330 Cb -0.10 0.78 -0.04 0.00 -0.74 0.00 0.00 36.82 36.73 1re5 h ILE 330 CO -0.07 0.04 0.46 0.00 0.00 0.00 0.00 178.15 178.58 1re5 h LEU 333 N -0.00 0.24 -0.51 0.00 4.07 -0.61 -1.10 115.31 117.40 1re5 h LEU 333 Ca 0.04 0.07 -0.16 0.00 0.08 0.00 0.00 57.88 57.91 1re5 h LEU 333 Cb 0.35 0.04 -0.01 0.00 1.08 0.00 0.00 40.66 42.12 1re5 h LEU 333 CO 0.01 0.15 -0.50 0.58 -1.08 0.00 0.00 178.44 177.60 1re5 h VAL 334 N 0.41 1.31 -0.81 1.22 2.07 -1.14 -2.56 116.25 116.74 1re5 h VAL 334 Ca 0.28 -1.72 -0.00 0.00 0.82 0.00 0.00 66.70 66.08 1re5 h VAL 334 Cb 0.31 1.67 -0.04 0.00 -1.52 0.00 0.00 31.29 31.71 1re5 h VAL 334 CO -0.27 0.54 0.49 0.77 0.02 0.00 0.00 177.57 179.12 1re5 h SER 335 N 0.50 0.97 0.06 0.57 4.64 -0.42 -1.16 113.55 118.71 1re5 h SER 335 Ca 0.02 -0.05 -0.11 0.00 -0.47 0.00 0.00 61.79 61.18 1re5 h SER 335 Cb 1.05 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.88 1re5 h SER 335 CO 0.10 0.75 -0.35 1.23 -0.87 0.00 0.00 176.83 177.69 1re5 h GLY 336 N 1.14 0.44 1.20 -0.77 0.00 -1.03 -1.98 103.07 102.07 1re5 h GLY 336 Ca 0.29 -0.40 -0.21 0.00 0.00 0.00 0.00 47.33 47.02 1re5 h GLY 336 CO -0.06 0.36 -0.72 0.00 0.00 0.00 0.00 176.54 176.13 1re5 h ALA 337 N 1.29 0.37 -0.31 3.60 0.00 -0.95 -2.31 119.26 120.94 1re5 h ALA 337 Ca 0.04 -0.58 -0.01 0.00 0.00 0.00 0.00 54.91 54.36 1re5 h ALA 337 Cb 0.78 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1re5 h ALA 337 CO 0.06 0.69 0.14 -0.07 0.00 0.00 0.00 179.25 180.07 1re5 h LEU 338 N 0.56 0.41 -0.32 0.00 3.38 -1.19 0.14 115.31 118.29 1re5 h LEU 338 Ca -0.03 -0.14 0.05 0.00 0.09 0.00 0.00 57.88 57.85 1re5 h LEU 338 Cb 1.34 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.94 1re5 h LEU 338 CO 0.15 0.43 0.05 -0.09 0.09 0.00 0.00 178.44 179.08 1re5 h ARG 339 N 0.36 0.16 -0.22 1.13 2.43 -1.33 -1.10 114.38 115.80 1re5 h ARG 339 Ca 0.11 -0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.15 1re5 h ARG 339 Cb 0.14 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 1re5 h ARG 339 CO -0.01 0.10 -0.34 0.37 -1.51 0.00 0.00 179.97 178.58 1re5 h GLN 340 N 0.16 0.46 -0.13 0.20 5.75 -1.16 -2.80 115.11 117.59 1re5 h GLN 340 Ca 0.15 -0.21 -0.09 0.00 -0.15 0.00 0.00 58.65 58.36 1re5 h GLN 340 Cb 0.18 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.70 1re5 h GLN 340 CO -0.21 0.75 -0.33 0.00 -2.65 0.00 0.00 178.83 176.39 1re5 h ALA 341 N 1.24 1.21 -0.26 3.38 0.00 -0.25 -2.67 119.26 121.91 1re5 h ALA 341 Ca 0.05 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 1re5 h ALA 341 Cb 0.79 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1re5 h ALA 341 CO 0.06 0.53 0.02 0.37 0.00 0.00 0.00 179.25 180.23 1re5 h GLN 342 N 0.22 0.46 0.09 0.00 5.75 -0.97 -0.37 115.11 120.29 1re5 h GLN 342 Ca 0.03 -0.14 0.02 0.00 -0.15 0.00 0.00 58.65 58.41 1re5 h GLN 342 Cb 0.69 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 29.16 1re5 h GLN 342 CO 0.05 0.60 -0.23 0.28 -2.65 0.00 0.00 178.83 176.89 1re5 h VAL 343 N 0.25 0.49 -0.07 2.39 2.07 -1.29 -1.94 116.25 118.15 1re5 h VAL 343 Ca 0.08 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.46 1re5 h VAL 343 Cb 0.39 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1re5 h VAL 343 CO 0.01 0.00 -0.56 0.16 0.02 0.00 0.00 177.57 177.20 1re5 h ILE 344 N -0.41 1.37 -0.60 4.57 3.07 -1.46 -2.86 117.51 121.19 1re5 h ILE 344 Ca 0.03 -1.87 -0.06 0.00 1.55 0.00 0.00 64.86 64.51 1re5 h ILE 344 Cb 0.44 1.94 -0.02 0.00 -0.27 0.00 0.00 36.82 38.90 1re5 h ILE 344 CO -0.14 0.55 0.14 0.00 -1.05 0.00 0.00 178.15 177.65 1re5 h ALA 345 N 1.26 0.80 -0.00 0.16 0.00 -0.83 -1.15 119.26 119.50 1re5 h ALA 345 Ca -0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1re5 h ALA 345 Cb 1.03 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1re5 h ALA 345 CO 0.08 0.51 -0.21 -0.85 0.00 0.00 0.00 179.25 178.79 1re5 n GLU 346 N -4.34 0.28 -0.18 0.00 0.28 -0.75 -4.22 120.64 111.71 1re5 n GLU 346 Ca 0.03 -0.11 0.02 0.00 -0.16 0.00 0.00 57.16 56.95 1re5 n GLU 346 Cb 0.25 -1.50 0.03 0.00 1.43 0.00 0.00 31.44 31.65 1re5 n GLU 346 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1re5 n GLY 347 N 1.42 0.92 3.77 -1.84 0.00 -1.08 -5.08 105.19 103.29 1re5 n GLY 347 Ca 0.09 -0.25 -0.39 0.00 0.00 0.00 0.00 46.02 45.48 1re5 n GLY 347 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1re5 s MET 348 N -0.79 4.17 -0.14 1.61 0.23 -0.45 -3.76 119.30 120.16 1re5 s MET 348 Ca 0.07 1.92 -0.16 0.00 -1.03 0.00 0.00 55.69 56.49 1re5 s MET 348 Cb 0.06 -2.81 -0.04 0.00 -1.53 0.00 0.00 34.83 30.51 1re5 s MET 348 CO 0.01 -0.24 0.40 -1.21 -2.03 0.00 0.00 175.02 171.94 1re5 s GLU 349 N -2.10 4.29 -0.08 3.16 2.02 -0.09 -4.90 118.70 121.01 1re5 s GLU 349 Ca 0.54 0.29 -0.01 0.00 0.02 0.00 0.00 54.97 55.81 1re5 s GLU 349 Cb -0.33 -3.44 -0.03 0.00 0.10 0.00 0.00 34.13 30.43 1re5 s GLU 349 CO 0.42 0.17 -0.03 0.08 0.02 0.00 0.00 175.26 175.91 1re5 s VAL 350 N 0.64 4.00 -0.71 2.63 1.01 -1.26 -1.10 120.40 125.61 1re5 s VAL 350 Ca 0.22 -0.37 0.05 0.00 0.00 0.00 0.00 61.98 61.88 1re5 s VAL 350 Cb -0.14 -2.66 0.21 0.00 0.00 0.00 0.00 36.38 33.79 1re5 s VAL 350 CO 0.07 0.60 0.64 -0.67 0.00 0.00 0.00 175.10 175.75 1re5 n ASP 351 N 2.21 3.50 -0.25 3.32 -0.08 -0.24 -4.93 116.55 120.08 1re5 n ASP 351 Ca -0.18 -3.30 0.13 0.00 -1.51 0.00 0.00 54.79 49.92 1re5 n ASP 351 Cb 0.53 -0.76 0.40 0.00 2.34 0.00 0.00 41.12 43.63 1re5 n ASP 351 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1re5 h ALA 352 N 4.97 1.89 -0.35 -1.67 0.00 -1.96 -1.47 119.26 120.67 1re5 h ALA 352 Ca 0.17 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1re5 h ALA 352 Cb 0.72 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1re5 h ALA 352 CO 0.79 -0.13 0.20 0.00 0.00 0.00 0.00 179.25 180.11 1re5 h ALA 353 N 1.61 0.45 -0.46 0.00 0.00 -1.97 -0.38 119.26 118.51 1re5 h ALA 353 Ca 0.44 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.22 1re5 h ALA 353 Cb 0.76 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1re5 h ALA 353 CO -0.19 -0.04 0.04 -0.09 0.00 0.00 0.00 179.25 178.96 1re5 h ARG 354 N 0.45 0.74 -0.53 0.00 9.65 -1.64 -0.36 114.38 122.68 1re5 h ARG 354 Ca 0.12 -0.17 0.00 0.00 -1.10 0.00 0.00 59.98 58.83 1re5 h ARG 354 Cb 0.03 -0.10 -0.03 0.00 -1.39 0.00 0.00 29.97 28.49 1re5 h ARG 354 CO -0.02 0.72 0.33 0.52 2.80 0.00 0.00 179.97 184.32 1re5 h MET 355 N 0.70 0.70 -0.17 0.20 2.86 -0.68 0.10 114.93 118.64 1re5 h MET 355 Ca 0.15 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 1re5 h MET 355 Cb 0.37 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 1re5 h MET 355 CO 0.01 0.49 0.11 0.00 1.06 0.00 0.00 176.91 178.58 1re5 h ARG 356 N 0.71 0.23 -0.17 1.72 2.47 -0.41 -1.53 114.38 117.40 1re5 h ARG 356 Ca 0.19 -0.02 0.02 0.00 -1.26 0.00 0.00 59.98 58.92 1re5 h ARG 356 Cb -0.05 -0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.20 1re5 h ARG 356 CO -0.04 0.16 0.02 -0.09 0.56 0.00 0.00 179.97 180.58 1re5 h ARG 357 N 0.22 0.08 0.00 0.04 2.43 -0.60 -1.72 114.38 114.83 1re5 h ARG 357 Ca 0.06 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.20 1re5 h ARG 357 Cb -0.01 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.52 1re5 h ARG 357 CO -0.01 0.05 -0.11 -0.91 -1.51 0.00 0.00 179.97 177.48 1re5 h ASN 358 N 0.08 0.00 -0.71 -3.80 2.35 -0.64 -2.98 115.58 109.88 1re5 h ASN 358 Ca 0.08 0.00 0.07 0.00 -0.55 0.00 0.00 56.30 55.90 1re5 h ASN 358 Cb 0.08 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.39 1re5 h ASN 358 CO -0.12 0.11 0.40 -0.07 -1.65 0.00 0.00 177.43 176.10 1re5 h LEU 359 N 0.00 0.58 -5.13 1.61 3.38 -0.31 -2.41 115.31 113.03 1re5 h LEU 359 Ca -0.00 0.04 -0.74 0.00 0.09 0.00 0.00 57.88 57.27 1re5 h LEU 359 Cb 0.21 -0.08 -0.30 0.00 0.09 0.00 0.00 40.66 40.59 1re5 h LEU 359 CO 0.01 0.36 0.70 -0.90 0.09 0.00 0.00 178.44 178.71 1re5 n ASP 360 N -4.78 6.92 0.11 -0.43 5.75 -1.12 -4.31 116.55 118.69 1re5 n ASP 360 Ca 0.10 -3.79 0.05 0.00 -0.01 0.00 0.00 54.79 51.13 1re5 n ASP 360 Cb 0.20 -0.96 0.00 0.00 -1.03 0.00 0.00 41.12 39.33 1re5 n ASP 360 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 1re5 h LEU 361 N 3.12 0.00 -2.34 -2.12 5.85 -1.55 -2.91 115.31 115.35 1re5 h LEU 361 Ca 0.50 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.22 1re5 h LEU 361 Cb 0.23 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.26 1re5 h LEU 361 CO 1.28 0.36 0.00 0.35 -0.34 0.00 0.00 178.44 180.08 1re5 n THR 362 N -2.98 0.71 -3.66 1.05 -2.24 -1.26 -4.97 114.28 100.93 1re5 n THR 362 Ca -0.02 -0.81 -0.21 0.00 -2.27 0.00 0.00 64.05 60.74 1re5 n THR 362 Cb 0.71 0.65 0.04 0.00 -2.10 0.00 0.00 70.33 69.63 1re5 n THR 362 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1re5 n GLN 363 N 1.42 -5.28 -0.14 -0.78 6.02 -1.10 -2.46 117.38 115.05 1re5 n GLN 363 Ca 0.21 0.66 0.00 0.00 -0.01 0.00 0.00 57.00 57.86 1re5 n GLN 363 Cb 0.57 -5.32 0.00 0.00 1.02 0.00 0.00 30.24 26.51 1re5 n GLN 363 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1re5 n GLY 364 N -1.51 2.48 0.30 1.08 0.00 -1.26 -1.80 105.19 104.47 1re5 n GLY 364 Ca -0.28 0.00 0.16 0.00 0.00 0.00 0.00 46.02 45.90 1re5 n GLY 364 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1re5 h LEU 365 N 0.00 0.00 -0.02 0.99 3.38 -1.87 0.83 115.31 118.61 1re5 h LEU 365 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1re5 h LEU 365 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1re5 h LEU 365 CO 0.00 0.02 0.00 0.55 0.09 0.00 0.00 178.44 179.10 1re5 n VAL 366 N -3.71 0.51 0.11 1.22 3.14 -1.26 -2.35 118.33 115.99 1re5 n VAL 366 Ca -0.03 0.11 0.06 0.00 -2.96 0.00 0.00 64.34 61.53 1re5 n VAL 366 Cb 0.11 -0.76 0.11 0.00 -1.06 0.00 0.00 33.84 32.25 1re5 n VAL 366 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1re5 n LEU 367 N -1.55 2.54 -0.26 6.55 4.32 0.27 -4.27 117.00 124.60 1re5 n LEU 367 Ca 0.05 -1.56 0.07 0.00 -0.02 0.00 0.00 56.01 54.55 1re5 n LEU 367 Cb 0.26 -0.14 0.20 0.00 -1.62 0.00 0.00 43.42 42.13 1re5 n LEU 367 CO 0.21 0.58 1.00 0.00 -1.22 0.00 0.00 177.39 177.95 1re5 h ALA 368 N 2.23 1.09 -0.58 -1.18 0.00 -1.32 -1.40 119.26 118.10 1re5 h ALA 368 Ca 0.00 0.14 0.08 0.00 0.00 0.00 0.00 54.91 55.13 1re5 h ALA 368 Cb 0.63 0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.50 1re5 h ALA 368 CO 0.00 -0.27 0.23 1.49 0.00 0.00 0.00 179.25 180.71 1re5 h GLU 369 N 0.39 0.42 -0.28 0.00 4.81 -1.82 0.96 114.58 119.06 1re5 h GLU 369 Ca 0.44 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.65 1re5 h GLU 369 Cb 0.72 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.99 1re5 h GLU 369 CO -0.45 0.28 0.18 0.00 -0.73 0.00 0.00 179.01 178.29 1re5 h ALA 370 N 1.38 1.84 0.23 2.92 0.00 -1.59 -2.21 119.26 121.82 1re5 h ALA 370 Ca 0.28 -0.02 -0.31 0.00 0.00 0.00 0.00 54.91 54.87 1re5 h ALA 370 Cb 0.31 -0.10 0.03 0.00 0.00 0.00 0.00 17.79 18.03 1re5 h ALA 370 CO -0.26 0.14 -1.36 0.28 0.00 0.00 0.00 179.25 178.05 1re5 h VAL 371 N 0.35 1.31 -0.89 0.00 2.07 -1.18 -3.32 116.25 114.58 1re5 h VAL 371 Ca 0.11 -2.66 0.13 0.00 0.82 0.00 0.00 66.70 65.10 1re5 h VAL 371 Cb 0.00 3.07 -0.07 0.00 -1.52 0.00 0.00 31.29 32.77 1re5 h VAL 371 CO -0.02 0.79 0.57 -1.28 0.02 0.00 0.00 177.57 177.65 1re5 h SER 372 N 0.03 0.72 -0.23 0.57 0.87 -0.24 -1.04 113.55 114.23 1re5 h SER 372 Ca -0.24 0.04 -0.10 0.00 -1.23 0.00 0.00 61.79 60.25 1re5 h SER 372 Cb 2.06 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 63.91 1re5 h SER 372 CO 0.25 0.38 -0.26 0.16 -0.53 0.00 0.00 176.83 176.83 1re5 h ILE 373 N 0.77 1.32 0.20 2.23 3.07 -1.59 -1.77 117.51 121.74 1re5 h ILE 373 Ca 0.44 -1.43 -0.01 0.00 1.55 0.00 0.00 64.86 65.40 1re5 h ILE 373 Cb 0.60 1.72 0.00 0.00 -0.27 0.00 0.00 36.82 38.87 1re5 h ILE 373 CO -0.20 0.45 -0.10 0.58 -1.05 0.00 0.00 178.15 177.83 1re5 h VAL 374 N 0.28 0.88 0.00 0.16 2.07 -1.51 -2.17 116.25 115.96 1re5 h VAL 374 Ca 0.03 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.13 1re5 h VAL 374 Cb 0.82 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 1re5 h VAL 374 CO 0.06 0.10 0.00 0.18 0.02 0.00 0.00 177.57 177.93 1re5 n LEU 375 N -5.11 0.00 -0.12 2.57 4.77 -0.45 -1.84 117.00 116.82 1re5 n LEU 375 Ca -0.09 0.47 -0.13 0.00 -0.03 0.00 0.00 56.01 56.24 1re5 n LEU 375 Cb 0.20 -0.47 -0.03 0.00 -2.33 0.00 0.00 43.42 40.79 1re5 n LEU 375 CO 0.33 -0.30 0.60 0.00 -1.33 0.00 0.00 177.39 176.69 1re5 h ALA 376 N 2.39 0.53 0.17 -1.18 0.00 -0.64 -2.78 119.26 117.75 1re5 h ALA 376 Ca 0.00 -0.40 -0.33 0.00 0.00 0.00 0.00 54.91 54.18 1re5 h ALA 376 Cb 0.17 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.85 1re5 h ALA 376 CO 0.00 0.54 -1.65 -0.56 0.00 0.00 0.00 179.25 177.58 1re5 h GLN 377 N 0.63 0.37 -0.69 0.00 3.07 -1.32 -3.04 115.11 114.12 1re5 h GLN 377 Ca 0.07 -0.63 0.09 0.00 0.09 0.00 0.00 58.65 58.27 1re5 h GLN 377 Cb 0.85 0.23 -0.04 0.00 0.08 0.00 0.00 27.48 28.60 1re5 h GLN 377 CO 0.07 1.30 0.46 0.00 0.09 0.00 0.00 178.83 180.75 1re5 h ARG 378 N 0.00 0.58 0.00 0.06 2.47 -1.46 -3.44 114.38 112.59 1re5 h ARG 378 Ca -0.33 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.36 1re5 h ARG 378 Cb 2.02 -0.13 0.00 0.00 -1.65 0.00 0.00 29.97 30.21 1re5 h ARG 378 CO 0.15 0.38 0.00 1.28 0.56 0.00 0.00 179.97 182.35 1re5 n LEU 379 N -4.49 0.00 -4.76 3.04 4.77 -1.05 -5.08 117.00 109.43 1re5 n LEU 379 Ca 0.11 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.71 1re5 n LEU 379 Cb 0.32 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.35 1re5 n LEU 379 CO 0.33 0.00 0.20 -0.83 -1.33 0.00 0.00 177.39 175.77 1re5 s GLY 380 N 0.00 2.50 0.54 -0.72 0.00 -1.26 -4.73 107.32 103.65 1re5 s GLY 380 Ca 0.00 -0.11 0.28 0.00 0.00 0.00 0.00 44.72 44.89 1re5 s GLY 380 CO 0.00 0.63 1.94 0.07 0.00 0.00 0.00 173.10 175.74 1re5 h ARG 381 N 5.87 0.00 0.21 2.90 0.11 -1.81 1.02 114.38 122.67 1re5 h ARG 381 Ca -0.45 0.00 -0.32 0.00 0.10 0.00 0.00 59.98 59.31 1re5 h ARG 381 Cb 1.20 0.00 0.04 0.00 1.11 0.00 0.00 29.97 32.31 1re5 h ARG 381 CO 0.70 0.00 -1.39 0.22 0.10 0.00 0.00 179.97 179.60 1re5 h ASP 382 N 0.00 0.87 0.12 0.08 1.82 -1.91 -3.07 116.42 114.33 1re5 h ASP 382 Ca 0.32 -0.88 -0.28 0.00 -0.39 0.00 0.00 57.03 55.80 1re5 h ASP 382 Cb 1.32 -0.28 0.03 0.00 0.68 0.00 0.00 39.33 41.08 1re5 h ASP 382 CO -0.00 1.68 -1.16 -0.09 -1.61 0.00 0.00 179.24 178.06 1re5 h ARG 383 N 0.19 0.57 -0.91 0.28 2.43 -0.98 -3.27 114.38 112.69 1re5 h ARG 383 Ca -0.23 -0.78 -0.01 0.00 -0.81 0.00 0.00 59.98 58.15 1re5 h ARG 383 Cb 2.08 0.26 -0.04 0.00 -0.42 0.00 0.00 29.97 31.84 1re5 h ARG 383 CO 0.26 1.35 0.52 0.00 -1.51 0.00 0.00 179.97 180.59 1re5 h ALA 384 N 0.25 1.19 -0.01 2.80 0.00 0.76 -1.19 119.26 123.07 1re5 h ALA 384 Ca -0.18 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.64 1re5 h ALA 384 Cb 1.85 -0.37 -0.05 0.00 0.00 0.00 0.00 17.79 19.23 1re5 h ALA 384 CO 0.22 0.66 -0.30 1.25 0.00 0.00 0.00 179.25 181.08 1re5 h HIS 385 N 1.27 -0.83 0.56 0.00 -0.00 -1.61 0.11 115.15 114.64 1re5 h HIS 385 Ca 0.32 0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 60.70 1re5 h HIS 385 Cb -0.01 0.37 -0.01 0.00 -0.00 0.00 0.00 27.41 27.76 1re5 h HIS 385 CO 0.01 -0.40 -0.42 1.25 -0.00 0.00 0.00 177.93 178.37 1re5 h HIS 386 N -0.45 -1.14 -0.56 5.26 6.17 -1.55 -2.39 115.15 120.49 1re5 h HIS 386 Ca 0.06 -0.00 0.16 0.00 0.71 0.00 0.00 60.37 61.31 1re5 h HIS 386 Cb 0.54 0.43 -0.02 0.00 2.52 0.00 0.00 27.41 30.87 1re5 h HIS 386 CO -0.34 -0.61 0.46 1.25 0.71 0.00 0.00 177.93 179.40 1re5 h LEU 387 N -0.96 0.00 0.16 0.26 5.85 -0.92 -1.93 115.31 117.77 1re5 h LEU 387 Ca -0.06 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.43 1re5 h LEU 387 Cb 0.80 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.86 1re5 h LEU 387 CO 0.01 0.00 -1.02 0.25 -0.34 0.00 0.00 178.44 177.34 1re5 h LEU 388 N 0.00 0.52 -1.70 2.25 5.85 -0.51 -2.91 115.31 118.82 1re5 h LEU 388 Ca 0.27 -0.93 -0.01 0.00 0.84 0.00 0.00 57.88 58.04 1re5 h LEU 388 Cb 1.18 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.03 1re5 h LEU 388 CO -0.00 1.48 0.03 -0.33 -0.34 0.00 0.00 178.44 179.28 1re5 h GLU 389 N -0.27 0.22 -0.31 1.25 5.08 -0.92 -1.37 114.58 118.26 1re5 h GLU 389 Ca -0.19 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.08 1re5 h GLU 389 Cb 1.75 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.95 1re5 h GLU 389 CO 0.16 0.22 -0.06 0.37 -1.00 0.00 0.00 179.01 178.70 1re5 h GLN 390 N 0.22 0.58 -0.09 2.33 4.15 -1.42 -1.15 115.11 119.73 1re5 h GLN 390 Ca 0.06 -0.22 -0.11 0.00 0.77 0.00 0.00 58.65 59.15 1re5 h GLN 390 Cb 0.10 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.74 1re5 h GLN 390 CO -0.00 0.76 -0.43 0.00 -1.93 0.00 0.00 178.83 177.23 1re5 h GLN 393 N -0.44 0.13 0.08 0.00 3.07 -1.15 -1.33 115.11 115.46 1re5 h GLN 393 Ca -0.01 -0.01 -0.18 0.00 0.09 0.00 0.00 58.65 58.54 1re5 h GLN 393 Cb 0.80 -0.03 -0.00 0.00 0.08 0.00 0.00 27.48 28.34 1re5 h GLN 393 CO 0.03 0.08 -0.89 0.00 0.09 0.00 0.00 178.83 178.14 1re5 h ARG 394 N 0.13 0.17 -0.28 0.06 3.08 -1.35 -2.21 114.38 113.98 1re5 h ARG 394 Ca 0.35 -0.28 0.08 0.00 0.07 0.00 0.00 59.98 60.20 1re5 h ARG 394 Cb 1.21 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 31.35 1re5 h ARG 394 CO -0.05 1.14 0.33 0.00 -1.07 0.00 0.00 179.97 180.32 1re5 h ALA 395 N -0.07 1.91 0.00 0.04 0.00 -0.09 -1.23 119.26 119.83 1re5 h ALA 395 Ca -0.19 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1re5 h ALA 395 Cb 1.48 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.29 1re5 h ALA 395 CO 0.03 -0.48 -0.33 0.28 0.00 0.00 0.00 179.25 178.76 1re5 h VAL 396 N 0.00 0.29 0.00 0.00 2.07 -1.35 0.80 116.25 118.06 1re5 h VAL 396 Ca 0.13 -1.27 0.00 0.00 0.82 0.00 0.00 66.70 66.38 1re5 h VAL 396 Cb 0.80 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1re5 h VAL 396 CO -0.00 0.10 0.00 0.00 0.02 0.00 0.00 177.57 177.69 1re5 n ALA 397 N -3.16 -0.04 0.55 1.67 0.00 -0.83 -0.31 120.51 118.40 1re5 n ALA 397 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1re5 n ALA 397 Cb 0.22 0.19 0.00 0.00 0.00 0.00 0.00 19.45 19.86 1re5 n ALA 397 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1re5 n GLU 398 N -1.19 0.55 -0.02 0.00 0.28 -0.53 -4.89 120.64 114.85 1re5 n GLU 398 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1re5 n GLU 398 Cb 0.00 -1.26 0.00 0.00 1.43 0.00 0.00 31.44 31.61 1re5 n GLU 398 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1re5 n GLN 399 N 0.39 0.00 -3.56 3.44 10.64 0.58 -4.96 117.38 123.91 1re5 n GLN 399 Ca 0.00 0.00 -0.10 0.00 -1.83 0.00 0.00 57.00 55.07 1re5 n GLN 399 Cb 0.19 0.00 -0.04 0.00 -0.86 0.00 0.00 30.24 29.52 1re5 n GLN 399 CO 0.00 0.00 0.00 -0.98 -1.83 0.00 0.00 177.06 174.25 1re5 s ARG 400 N 0.00 0.64 0.53 2.61 1.70 0.27 -4.99 118.95 119.70 1re5 s ARG 400 Ca 0.00 0.02 -0.18 0.00 -0.47 0.00 0.00 55.73 55.10 1re5 s ARG 400 Cb 0.00 0.30 -0.12 0.00 -0.57 0.00 0.00 34.95 34.56 1re5 s ARG 400 CO 0.00 -0.23 0.19 1.58 -1.08 0.00 0.00 175.30 175.76 1re5 n HIS 401 N 0.44 -1.82 0.16 5.89 -0.00 -1.26 -4.59 115.22 114.05 1re5 n HIS 401 Ca -0.09 0.46 0.02 0.00 -0.00 0.00 0.00 57.72 58.10 1re5 n HIS 401 Cb 0.59 -1.82 0.27 0.00 -0.00 0.00 0.00 29.99 29.03 1re5 n HIS 401 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 1re5 h LEU 402 N 0.13 0.00 -0.57 0.27 6.46 -1.70 -2.96 115.31 116.94 1re5 h LEU 402 Ca -0.43 0.00 0.07 0.00 -0.12 0.00 0.00 57.88 57.40 1re5 h LEU 402 Cb 1.43 0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 41.30 1re5 h LEU 402 CO 0.45 0.49 0.25 -0.09 -0.62 0.00 0.00 178.44 178.91 1re5 h ARG 403 N 0.00 0.45 0.57 1.25 9.65 -1.90 -1.33 114.38 123.07 1re5 h ARG 403 Ca -0.00 -0.03 -0.03 0.00 -1.10 0.00 0.00 59.98 58.82 1re5 h ARG 403 Cb 0.94 -0.10 0.01 0.00 -1.39 0.00 0.00 29.97 29.42 1re5 h ARG 403 CO 0.06 0.29 -0.27 0.00 2.80 0.00 0.00 179.97 182.86 1re5 h ALA 404 N 1.36 -0.76 -1.08 2.80 0.00 -1.89 -2.33 119.26 117.36 1re5 h ALA 404 Ca 0.27 -0.19 0.32 0.00 0.00 0.00 0.00 54.91 55.31 1re5 h ALA 404 Cb 0.27 0.30 -0.12 0.00 0.00 0.00 0.00 17.79 18.24 1re5 h ALA 404 CO -0.24 -0.76 0.67 0.28 0.00 0.00 0.00 179.25 179.19 1re5 h VAL 405 N -1.10 0.37 -0.01 0.00 2.07 -1.39 0.61 116.25 116.79 1re5 h VAL 405 Ca -0.08 -0.11 -0.15 0.00 0.82 0.00 0.00 66.70 67.17 1re5 h VAL 405 Cb 0.64 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 1re5 h VAL 405 CO 0.13 0.06 -0.71 -0.07 0.02 0.00 0.00 177.57 177.00 1re5 h LEU 406 N 0.33 0.08 -1.14 2.57 3.38 -1.22 -3.02 115.31 116.30 1re5 h LEU 406 Ca 0.69 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 58.55 1re5 h LEU 406 Cb 1.74 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.46 1re5 h LEU 406 CO -0.45 0.76 -0.30 1.23 0.09 0.00 0.00 178.44 179.77 1re5 h GLY 407 N 1.96 0.00 -2.52 0.83 0.00 0.76 -2.65 103.07 101.46 1re5 h GLY 407 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1re5 h GLY 407 CO 0.10 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.86 1re5 n ASP 408 N -3.56 3.75 -4.36 0.19 10.43 -0.69 -4.73 116.55 117.58 1re5 n ASP 408 Ca -0.00 -2.17 -0.44 0.00 2.57 0.00 0.00 54.79 54.75 1re5 n ASP 408 Cb 0.44 -0.48 -0.08 0.00 1.84 0.00 0.00 41.12 42.85 1re5 n ASP 408 CO 0.00 0.00 0.00 -0.70 -1.07 0.00 0.00 177.20 175.43 1re5 s GLU 409 N -1.44 2.91 0.14 -1.24 2.56 -1.00 -5.00 118.70 115.62 1re5 s GLU 409 Ca 0.43 -1.37 -0.27 0.00 0.00 0.00 0.00 54.97 53.77 1re5 s GLU 409 Cb 0.25 -4.06 -0.06 0.00 2.00 0.00 0.00 34.13 32.26 1re5 s GLU 409 CO 0.26 -1.01 1.46 -1.35 -0.56 0.00 0.00 175.26 174.06 1re5 h PRO 410 N 8.68 -0.02 -0.79 4.30 0.11 -1.87 0.54 132.00 142.96 1re5 h PRO 410 Ca -0.27 0.00 0.10 0.00 0.11 0.00 0.00 66.00 65.94 1re5 h PRO 410 Cb 1.10 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.14 1re5 h PRO 410 CO 0.85 -0.01 0.42 1.96 -0.21 0.00 0.00 178.00 181.01 1re5 h GLN 411 N -0.02 0.67 0.10 1.05 7.50 -1.95 0.15 115.11 122.61 1re5 h GLN 411 Ca 0.13 -0.04 -0.00 0.00 0.50 0.00 0.00 58.65 59.24 1re5 h GLN 411 Cb 0.36 -0.15 0.00 0.00 0.05 0.00 0.00 27.48 27.74 1re5 h GLN 411 CO -0.79 0.45 -0.05 0.28 -1.50 0.00 0.00 178.83 177.22 1re5 h VAL 412 N 0.70 1.14 0.00 -0.54 2.07 -1.41 -2.66 116.25 115.55 1re5 h VAL 412 Ca 0.39 -1.04 0.00 0.00 0.82 0.00 0.00 66.70 66.87 1re5 h VAL 412 Cb 0.41 1.78 0.00 0.00 -1.52 0.00 0.00 31.29 31.96 1re5 h VAL 412 CO -0.27 0.25 0.00 -1.54 0.02 0.00 0.00 177.57 176.02 1re5 n SER 413 N -4.92 0.27 0.07 0.57 3.41 0.17 -0.28 113.62 112.90 1re5 n SER 413 Ca -0.09 0.57 0.11 0.00 -0.26 0.00 0.00 58.87 59.21 1re5 n SER 413 Cb 0.26 -0.63 0.01 0.00 -0.26 0.00 0.00 64.21 63.59 1re5 n SER 413 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1re5 n ALA 414 N -1.61 2.79 -0.05 7.33 0.00 0.51 -4.23 120.51 125.25 1re5 n ALA 414 Ca 0.03 -0.30 -0.02 0.00 0.00 0.00 0.00 53.44 53.14 1re5 n ALA 414 Cb 0.18 -1.05 -0.12 0.00 0.00 0.00 0.00 19.45 18.46 1re5 n ALA 414 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1re5 n GLU 415 N -2.40 1.26 -4.50 0.00 -0.58 -0.68 -4.96 120.64 108.78 1re5 n GLU 415 Ca 0.00 -0.05 -0.26 0.00 -0.42 0.00 0.00 57.16 56.43 1re5 n GLU 415 Cb 0.51 -1.37 -0.17 0.00 -0.57 0.00 0.00 31.44 29.84 1re5 n GLU 415 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1re5 s LEU 416 N -4.75 1.63 1.13 -4.62 1.43 0.61 -5.09 118.68 109.02 1re5 s LEU 416 Ca -0.07 -0.34 -0.16 0.00 -1.03 0.00 0.00 54.13 52.53 1re5 s LEU 416 Cb 0.06 -0.92 0.25 0.00 0.03 0.00 0.00 46.19 45.61 1re5 s LEU 416 CO 0.61 0.02 1.09 -0.94 0.23 0.00 0.00 176.35 177.35 1re5 s SER 417 N 0.86 1.54 0.40 2.29 1.04 -1.26 -4.33 113.70 114.23 1re5 s SER 417 Ca -0.10 0.94 0.17 0.00 0.48 0.00 0.00 55.95 57.44 1re5 s SER 417 Cb -0.15 -1.42 0.84 0.00 0.10 0.00 0.00 66.02 65.39 1re5 s SER 417 CO 0.01 -3.78 1.84 1.23 0.98 0.00 0.00 173.24 173.53 1re5 h GLY 418 N -2.34 0.00 1.87 7.32 0.00 -1.98 -1.98 103.07 105.96 1re5 h GLY 418 Ca -0.51 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 46.63 1re5 h GLY 418 CO 0.46 0.00 -0.87 1.05 0.00 0.00 0.00 176.54 177.18 1re5 h GLU 419 N 0.00 0.11 -0.15 4.80 -0.00 -2.00 -2.69 114.58 114.65 1re5 h GLU 419 Ca -0.00 -0.13 -0.16 0.00 -0.00 0.00 0.00 59.36 59.07 1re5 h GLU 419 Cb 0.67 0.04 0.01 0.00 -0.00 0.00 0.00 28.75 29.46 1re5 h GLU 419 CO 0.04 0.91 -0.52 0.93 -0.00 0.00 0.00 179.01 180.37 1re5 h GLU 420 N 0.06 0.61 -0.31 1.06 5.08 -1.81 -3.06 114.58 116.21 1re5 h GLU 420 Ca -0.03 -0.46 -0.07 0.00 -1.00 0.00 0.00 59.36 57.80 1re5 h GLU 420 Cb 1.50 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.82 1re5 h GLU 420 CO 0.12 1.08 -0.10 -0.07 -1.00 0.00 0.00 179.01 179.05 1re5 h LEU 421 N 0.26 0.50 -1.26 1.33 3.38 -1.42 -1.45 115.31 116.65 1re5 h LEU 421 Ca -0.02 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 1re5 h LEU 421 Cb 1.15 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.75 1re5 h LEU 421 CO 0.11 0.64 0.16 0.44 0.09 0.00 0.00 178.44 179.88 1re5 h ASP 422 N 0.48 0.61 -0.00 -0.43 3.45 -1.46 -2.40 116.42 116.67 1re5 h ASP 422 Ca 0.09 -0.08 -0.02 0.00 0.43 0.00 0.00 57.03 57.46 1re5 h ASP 422 Cb 0.47 -0.16 0.00 0.00 -0.56 0.00 0.00 39.33 39.08 1re5 h ASP 422 CO 0.03 0.57 -0.06 -0.09 -1.57 0.00 0.00 179.24 178.12 1re5 h ARG 423 N 0.66 0.05 -0.97 3.56 2.43 -1.32 -3.19 114.38 115.60 1re5 h ARG 423 Ca 0.16 -0.05 0.12 0.00 -0.81 0.00 0.00 59.98 59.40 1re5 h ARG 423 Cb 0.17 0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 29.66 1re5 h ARG 423 CO -0.01 0.78 0.62 -0.07 -1.51 0.00 0.00 179.97 179.77 1re5 h LEU 424 N -0.66 0.87 -1.89 3.80 3.38 -1.18 -0.97 115.31 118.66 1re5 h LEU 424 Ca -0.01 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1re5 h LEU 424 Cb 0.79 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1re5 h LEU 424 CO 0.01 0.47 0.00 0.18 0.09 0.00 0.00 178.44 179.19 1re5 n LEU 425 N -4.59 2.78 -4.50 1.67 7.99 -0.91 -4.72 117.00 114.71 1re5 n LEU 425 Ca 0.18 -1.40 -0.38 0.00 -0.01 0.00 0.00 56.01 54.40 1re5 n LEU 425 Cb 0.36 -0.45 -0.11 0.00 -0.11 0.00 0.00 43.42 43.11 1re5 n LEU 425 CO 0.28 0.46 -0.20 -0.62 -1.51 0.00 0.00 177.39 175.80 1re5 s ASP 426 N -0.63 5.69 0.40 -1.43 2.15 -0.37 -4.99 116.67 117.50 1re5 s ASP 426 Ca 0.26 -0.31 0.10 0.00 0.43 0.00 0.00 52.55 53.03 1re5 s ASP 426 Cb 0.17 -2.04 0.90 0.00 -0.30 0.00 0.00 42.92 41.65 1re5 s ASP 426 CO 0.11 -0.13 1.96 1.55 -0.17 0.00 0.00 175.17 178.49 1re5 h PRO 427 N 8.36 0.54 0.00 4.34 0.13 -1.86 -1.57 132.00 141.95 1re5 h PRO 427 Ca -0.34 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1re5 h PRO 427 Cb 1.17 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1re5 h PRO 427 CO 0.59 0.36 0.12 0.00 -0.23 0.00 0.00 178.00 178.85 1re5 n ALA 428 N -2.48 0.87 -0.34 -0.56 0.00 -1.26 -0.51 120.51 116.22 1re5 n ALA 428 Ca 0.11 0.17 0.09 0.00 0.00 0.00 0.00 53.44 53.81 1re5 n ALA 428 Cb 0.32 -1.10 0.27 0.00 0.00 0.00 0.00 19.45 18.95 1re5 n ALA 428 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1re5 n HIS 429 N -2.16 0.84 -2.62 0.00 8.25 -0.59 -4.41 115.22 114.54 1re5 n HIS 429 Ca -0.01 -0.52 -0.09 0.00 -0.26 0.00 0.00 57.72 56.84 1re5 n HIS 429 Cb 0.15 -0.03 0.04 0.00 1.12 0.00 0.00 29.99 31.26 1re5 n HIS 429 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 1re5 n TYR 430 N 1.18 1.69 1.54 4.41 9.36 0.33 -4.84 117.16 130.82 1re5 n TYR 430 Ca 0.20 -2.40 0.13 0.00 3.32 0.00 0.00 57.90 59.16 1re5 n TYR 430 Cb 0.58 -0.27 0.56 0.00 -0.63 0.00 0.00 39.34 39.57 1re5 n TYR 430 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 1re5 n LEU 431 N -0.48 1.27 0.00 2.98 4.32 -1.25 -4.48 117.00 119.36 1re5 n LEU 431 Ca 0.17 -0.45 0.00 0.00 -0.02 0.00 0.00 56.01 55.71 1re5 n LEU 431 Cb 0.82 -0.02 0.00 0.00 -1.62 0.00 0.00 43.42 42.60 1re5 n LEU 431 CO 0.20 0.22 0.00 0.61 -1.22 0.00 0.00 177.39 177.21 1re5 n GLY 432 N 1.13 2.70 0.38 -0.72 0.00 -1.26 -1.36 105.19 106.05 1re5 n GLY 432 Ca 0.19 -0.09 0.06 0.00 0.00 0.00 0.00 46.02 46.17 1re5 n GLY 432 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1re5 n GLN 433 N 14.00 1.49 -0.34 1.61 1.13 -1.26 -4.58 117.38 129.43 1re5 n GLN 433 Ca 0.00 -0.75 -0.06 0.00 -1.94 0.00 0.00 57.00 54.25 1re5 n GLN 433 Cb 0.00 -1.23 -0.04 0.00 0.11 0.00 0.00 30.24 29.08 1re5 n GLN 433 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1re5 n ALA 434 N 0.06 -0.38 0.01 -1.58 0.00 -0.47 -0.12 120.51 118.04 1re5 n ALA 434 Ca 0.10 0.76 -0.01 0.00 0.00 0.00 0.00 53.44 54.29 1re5 n ALA 434 Cb 0.20 -0.21 0.27 0.00 0.00 0.00 0.00 19.45 19.70 1re5 n ALA 434 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1re5 h ARG 435 N 0.00 0.50 -0.19 0.00 3.08 -1.81 -2.71 114.38 113.25 1re5 h ARG 435 Ca 0.19 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 1re5 h ARG 435 Cb 0.40 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 1re5 h ARG 435 CO -0.80 0.60 0.07 0.28 -1.07 0.00 0.00 179.97 179.05 1re5 h VAL 436 N 0.47 1.17 -0.41 2.04 2.07 -0.85 -1.21 116.25 119.53 1re5 h VAL 436 Ca 0.09 -0.51 0.05 0.00 0.82 0.00 0.00 66.70 67.16 1re5 h VAL 436 Cb 0.45 1.15 -0.05 0.00 -1.52 0.00 0.00 31.29 31.32 1re5 h VAL 436 CO 0.02 0.16 0.13 -0.50 0.02 0.00 0.00 177.57 177.41 1re5 h TRP 437 N 0.15 0.23 -0.83 1.57 -0.00 -0.85 0.47 115.95 116.69 1re5 h TRP 437 Ca 0.06 0.02 -0.00 0.00 -0.00 0.00 0.00 58.89 58.97 1re5 h TRP 437 Cb 0.19 -0.04 -0.04 0.00 -0.00 0.00 0.00 29.16 29.26 1re5 h TRP 437 CO -0.01 0.08 0.51 0.28 -0.00 0.00 0.00 178.44 179.30 1re5 h VAL 438 N 0.29 1.23 0.20 1.49 2.07 -1.30 -1.09 116.25 119.14 1re5 h VAL 438 Ca 0.19 -0.49 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 1re5 h VAL 438 Cb 0.19 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.01 1re5 h VAL 438 CO -0.21 0.24 -0.09 0.00 0.02 0.00 0.00 177.57 177.53 1re5 h ALA 439 N 1.41 -0.26 -0.69 1.67 0.00 0.07 -0.04 119.26 121.41 1re5 h ALA 439 Ca 0.30 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1re5 h ALA 439 Cb -0.06 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1re5 h ALA 439 CO -0.06 -0.59 0.42 0.00 0.00 0.00 0.00 179.25 179.03 1re5 h ARG 440 N -0.39 0.93 0.11 0.00 3.08 -0.75 0.18 114.38 117.55 1re5 h ARG 440 Ca -0.03 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 1re5 h ARG 440 Cb 0.30 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.15 1re5 h ARG 440 CO 0.04 0.65 -0.05 0.00 -1.07 0.00 0.00 179.97 179.54 1re5 h ALA 441 N 1.22 -0.15 -0.67 0.04 0.00 -1.09 -0.21 119.26 118.40 1re5 h ALA 441 Ca 0.25 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1re5 h ALA 441 Cb -0.04 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1re5 h ALA 441 CO -0.05 -0.53 0.27 0.28 0.00 0.00 0.00 179.25 179.22 1re5 h VAL 442 N -0.25 1.23 0.51 0.00 2.07 -0.85 -1.86 116.25 117.09 1re5 h VAL 442 Ca -0.02 -0.71 -0.01 0.00 0.82 0.00 0.00 66.70 66.78 1re5 h VAL 442 Cb 0.21 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 1re5 h VAL 442 CO 0.03 0.29 -0.39 -1.28 0.02 0.00 0.00 177.57 176.23 1re5 h SER 443 N 0.96 -1.02 -0.77 0.57 0.87 -0.32 -2.00 113.55 111.85 1re5 h SER 443 Ca 0.23 0.07 0.12 0.00 -1.23 0.00 0.00 61.79 60.98 1re5 h SER 443 Cb 0.17 0.32 -0.05 0.00 -0.44 0.00 0.00 62.40 62.40 1re5 h SER 443 CO -0.02 -0.57 0.51 -0.08 -0.53 0.00 0.00 176.83 176.14 1re5 h GLU 444 N -0.88 0.55 -0.80 2.24 4.81 -0.80 -0.13 114.58 119.57 1re5 h GLU 444 Ca -0.05 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.11 1re5 h GLU 444 Cb 0.74 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.96 1re5 h GLU 444 CO 0.01 0.37 0.38 1.25 -0.73 0.00 0.00 179.01 180.29 1re5 h HIS 445 N 0.57 1.15 -0.05 0.92 2.76 -0.89 -1.16 115.15 118.45 1re5 h HIS 445 Ca 0.37 -0.06 -0.19 0.00 -2.20 0.00 0.00 60.37 58.30 1re5 h HIS 445 Cb 0.64 -0.36 -0.01 0.00 1.55 0.00 0.00 27.41 29.24 1re5 h HIS 445 CO -0.00 0.83 -0.77 1.96 -1.30 0.00 0.00 177.93 178.65 1re5 h GLN 446 N 1.13 0.33 0.21 5.26 4.20 -0.37 -3.06 115.11 122.81 1re5 h GLN 446 Ca 0.27 -0.29 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 1re5 h GLN 446 Cb 0.12 0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.97 1re5 h GLN 446 CO -0.03 0.95 -0.10 0.00 -0.67 0.00 0.00 178.83 178.97 1re5 h ARG 447 N 0.21 -0.28 -0.52 1.46 2.47 -0.77 -3.03 114.38 113.93 1re5 h ARG 447 Ca -0.04 0.02 0.10 0.00 -1.26 0.00 0.00 59.98 58.81 1re5 h ARG 447 Cb 1.36 0.06 -0.09 0.00 -1.65 0.00 0.00 29.97 29.64 1re5 h ARG 447 CO 0.13 -0.17 -0.07 0.35 0.56 0.00 0.00 179.97 180.77 1re5 h PHE 448 N -0.31 -0.17 -0.25 3.04 3.57 -1.23 -2.74 116.94 118.84 1re5 h PHE 448 Ca -0.03 0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.55 1re5 h PHE 448 Cb 0.24 0.16 -0.04 0.00 2.79 0.00 0.00 35.95 39.10 1re5 h PHE 448 CO -0.06 -0.18 -0.12 2.41 -2.23 0.00 0.00 178.31 178.14 1re5 n THR 449 N -5.32 -0.15 1.86 4.41 -1.04 -1.14 -5.13 114.28 107.77 1re5 n THR 449 Ca 0.06 0.60 0.15 0.00 -2.04 0.00 0.00 64.05 62.82 1re5 n THR 449 Cb 0.28 -0.78 0.88 0.00 -1.82 0.00 0.00 70.33 68.90 1re5 n THR 449 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43